REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cvw_1_A DATA FIRST_RESID 91 DATA SEQUENCE TKQFSKVVED LYRYVNAATG KPAPMISDDV YNIVMENKDK LNSAIVYDRD DATA SEQUENCE FQYSYFGFKT LERSYLLRIN GQVAERPQHL IMRVALGIHG RDIEAALETY DATA SEQUENCE NLMSLKYFTH ASPTLFNAGT PKPQMSSCFL VAMKEDSIEG IYDTLKECAL DATA SEQUENCE ISKTAGGIGL HIHNIRSTGS YIAGTNGTSN GLIPMIRVFN NTARYVDQGG DATA SEQUENCE NKRPGAFALY LEPWHADIFD FIDIRKNHGK EEIRARDLFP ALWIPDLFMK DATA SEQUENCE RVEENGTWTL FSPTSAPGLS DCYGDEFEAL YTRYEKEGRG KTIKAQKLWY DATA SEQUENCE SILEAQTETG TPFVVYKDAC NRKSNQKNLG VIKSSNLCCE IVEYSAPDET DATA SEQUENCE AVCNLASVAL PAFIETSEDG KTSTYNFKKL HEIAKVVTRN LNRVIDRNYY DATA SEQUENCE PVEEARKSNM RHRPIALGVQ GLADTFMLLR LPFDSEEARL LNIQIFETIY DATA SEQUENCE HASMEASCEL AQKDGPYETF QGSPASQGIL QFDMWDQKPY GMWDWDTLRK DATA SEQUENCE DIMKHGVRNS LTMAPMPTAS TSQILGYNEC FEPVTSNMYS XXXXXXXFQV DATA SEQUENCE VNPYLLRDLV DLGIWDEGMK QYLITQNGSI QGLPNVPQEL KDLYKTVWEI DATA SEQUENCE SQKTIINMAA DRSVYIDQSH SLNLFLRAPT MGKLTSMHFY GWKKGLKTGM DATA SEQUENCE YYLRTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 91 T HA 0.000 nan 4.350 nan 0.000 0.228 91 T C 0.000 174.745 174.700 0.076 0.000 1.109 91 T CA 0.000 62.127 62.100 0.046 0.000 1.349 91 T CB 0.000 68.885 68.868 0.029 0.000 0.612 92 K N 1.352 121.760 120.400 0.014 0.000 2.017 92 K HA 0.164 4.486 4.320 0.003 0.000 0.207 92 K C 0.901 177.564 176.600 0.105 0.000 1.035 92 K CA 0.410 56.663 56.287 -0.057 0.000 0.947 92 K CB 0.069 32.468 32.500 -0.170 0.000 0.749 92 K HN 0.636 nan 8.250 nan 0.000 0.443 93 Q N 0.805 120.652 119.800 0.078 0.000 2.263 93 Q HA -0.128 4.214 4.340 0.003 0.000 0.289 93 Q C 0.613 176.670 176.000 0.096 0.000 1.061 93 Q CA -0.161 55.724 55.803 0.136 0.000 0.927 93 Q CB 0.398 29.176 28.738 0.068 0.000 1.154 93 Q HN 0.341 nan 8.270 nan 0.000 0.378 94 F N 3.250 123.212 119.950 0.020 0.000 2.102 94 F HA -0.213 4.316 4.527 0.003 0.000 0.298 94 F C 2.189 177.909 175.800 -0.133 0.000 1.105 94 F CA 2.057 59.960 58.000 -0.161 0.000 1.239 94 F CB -0.496 38.520 39.000 0.026 0.000 0.991 94 F HN 0.722 nan 8.300 nan 0.000 0.474 95 S N -0.400 115.174 115.700 -0.210 0.000 2.400 95 S HA -0.261 4.211 4.470 0.003 0.000 0.232 95 S C 2.060 176.526 174.600 -0.222 0.000 1.025 95 S CA 1.400 59.415 58.200 -0.309 0.000 0.993 95 S CB -0.668 62.442 63.200 -0.151 0.000 0.808 95 S HN 0.447 nan 8.310 nan 0.000 0.478 96 K N 0.948 121.268 120.400 -0.134 0.000 2.057 96 K HA 0.088 4.410 4.320 0.003 0.000 0.206 96 K C 1.984 178.522 176.600 -0.104 0.000 1.050 96 K CA 1.224 57.464 56.287 -0.079 0.000 0.935 96 K CB -0.570 31.908 32.500 -0.037 0.000 0.715 96 K HN 0.267 nan 8.250 nan 0.000 0.439 97 V N 0.036 119.836 119.914 -0.190 0.000 2.261 97 V HA -0.253 3.869 4.120 0.003 0.000 0.246 97 V C 2.132 178.115 176.094 -0.185 0.000 1.047 97 V CA 1.735 63.914 62.300 -0.201 0.000 1.015 97 V CB -0.286 31.311 31.823 -0.376 0.000 0.642 97 V HN 0.133 nan 8.190 nan 0.000 0.446 98 V N -0.016 119.692 119.914 -0.342 0.000 2.282 98 V HA -0.336 3.786 4.120 0.003 0.000 0.249 98 V C 2.531 178.634 176.094 0.015 0.000 1.057 98 V CA 2.479 64.641 62.300 -0.229 0.000 1.032 98 V CB -0.695 30.868 31.823 -0.433 0.000 0.645 98 V HN 0.640 nan 8.190 nan 0.000 0.447 99 E N 0.571 120.789 120.200 0.031 0.000 2.038 99 E HA -0.231 4.121 4.350 0.003 0.000 0.195 99 E C 1.823 178.498 176.600 0.125 0.000 1.000 99 E CA 1.920 58.419 56.400 0.166 0.000 0.803 99 E CB -0.406 29.359 29.700 0.108 0.000 0.750 99 E HN 0.645 nan 8.360 nan 0.000 0.448 100 D N 0.235 120.673 120.400 0.062 0.000 2.103 100 D HA -0.204 4.438 4.640 0.003 0.000 0.190 100 D C 2.195 178.550 176.300 0.091 0.000 0.997 100 D CA 1.375 55.415 54.000 0.066 0.000 0.833 100 D CB -0.625 40.199 40.800 0.040 0.000 0.961 100 D HN 0.232 nan 8.370 nan 0.000 0.447 101 L N -0.324 120.937 121.223 0.062 0.000 2.034 101 L HA -0.272 4.070 4.340 0.003 0.000 0.217 101 L C 2.565 179.500 176.870 0.110 0.000 1.077 101 L CA 1.461 56.337 54.840 0.060 0.000 0.769 101 L CB -0.547 41.534 42.059 0.037 0.000 0.890 101 L HN 0.109 nan 8.230 nan 0.000 0.435 102 Y N 0.208 120.489 120.300 -0.032 0.000 2.293 102 Y HA -0.121 4.431 4.550 0.003 0.000 0.291 102 Y C 2.448 178.268 175.900 -0.133 0.000 1.137 102 Y CA 1.247 59.271 58.100 -0.125 0.000 1.202 102 Y CB 0.065 38.338 38.460 -0.312 0.000 0.990 102 Y HN -0.005 nan 8.280 nan 0.000 0.537 103 R N -0.946 119.526 120.500 -0.047 0.000 2.290 103 R HA -0.015 4.327 4.340 0.003 0.000 0.197 103 R C -0.190 176.066 176.300 -0.073 0.000 0.913 103 R CA -0.236 55.798 56.100 -0.109 0.000 1.040 103 R CB -1.201 29.087 30.300 -0.019 0.000 0.992 103 R HN 0.323 nan 8.270 nan 0.000 0.500 104 Y N 1.193 121.428 120.300 -0.108 0.000 2.993 104 Y HA -0.089 4.463 4.550 0.003 0.000 0.340 104 Y C -0.214 175.623 175.900 -0.105 0.000 1.273 104 Y CA 0.430 58.478 58.100 -0.085 0.000 1.545 104 Y CB 0.502 38.923 38.460 -0.065 0.000 1.275 104 Y HN -0.285 nan 8.280 nan 0.000 0.617 105 V N 6.975 126.269 119.914 -1.033 0.000 2.686 105 V HA 0.141 4.263 4.120 0.003 0.000 0.306 105 V C -0.473 175.033 176.094 -0.980 0.000 1.065 105 V CA -1.574 60.283 62.300 -0.737 0.000 0.894 105 V CB 1.889 33.481 31.823 -0.384 0.000 1.004 105 V HN 0.857 nan 8.190 nan 0.000 0.424 106 N N 2.894 121.252 118.700 -0.570 0.000 2.406 106 N HA 0.150 4.891 4.740 0.003 0.000 0.265 106 N C 1.047 176.439 175.510 -0.197 0.000 1.203 106 N CA 0.504 53.377 53.050 -0.295 0.000 0.945 106 N CB 1.793 40.223 38.487 -0.094 0.000 1.165 106 N HN 0.867 nan 8.380 nan 0.000 0.485 107 A N 4.349 127.075 122.820 -0.157 0.000 1.898 107 A HA -0.098 4.224 4.320 0.003 0.000 0.216 107 A C 2.107 179.653 177.584 -0.062 0.000 1.181 107 A CA 1.599 53.575 52.037 -0.102 0.000 0.620 107 A CB -0.649 18.312 19.000 -0.065 0.000 0.819 107 A HN 0.774 nan 8.150 nan 0.000 0.442 108 A N -1.878 120.918 122.820 -0.039 0.000 2.186 108 A HA -0.044 4.277 4.320 0.003 0.000 0.219 108 A C 2.008 179.571 177.584 -0.034 0.000 1.159 108 A CA 2.313 54.334 52.037 -0.027 0.000 0.680 108 A CB -0.558 18.434 19.000 -0.012 0.000 0.787 108 A HN 0.548 nan 8.150 nan 0.000 0.467 109 T N -4.046 110.478 114.554 -0.049 0.000 3.046 109 T HA 0.387 4.739 4.350 0.003 0.000 0.270 109 T C 1.107 175.770 174.700 -0.062 0.000 0.920 109 T CA 1.182 63.252 62.100 -0.049 0.000 0.874 109 T CB -0.162 68.680 68.868 -0.042 0.000 1.214 109 T HN 1.602 nan 8.240 nan 0.000 0.536 110 G N 2.146 110.896 108.800 -0.082 0.000 2.155 110 G HA2 -0.234 3.727 3.960 0.003 0.000 0.257 110 G HA3 -0.234 3.727 3.960 0.003 0.000 0.257 110 G C -0.063 174.776 174.900 -0.102 0.000 0.983 110 G CA 0.516 45.561 45.100 -0.091 0.000 0.676 110 G HN 0.581 nan 8.290 nan 0.000 0.528 111 K N 1.122 121.456 120.400 -0.110 0.000 2.227 111 K HA 0.447 4.769 4.320 0.003 0.000 0.280 111 K C -2.421 174.088 176.600 -0.151 0.000 1.041 111 K CA -2.023 54.199 56.287 -0.108 0.000 0.905 111 K CB 1.286 33.738 32.500 -0.081 0.000 1.068 111 K HN -0.017 nan 8.250 nan 0.000 0.470 112 P HA -0.027 nan 4.420 nan 0.000 0.266 112 P C -1.133 176.080 177.300 -0.146 0.000 1.215 112 P CA 0.062 63.055 63.100 -0.178 0.000 0.763 112 P CB 0.814 32.414 31.700 -0.167 0.000 0.806 113 A N 5.604 128.346 122.820 -0.131 0.000 3.248 113 A HA 0.437 4.759 4.320 0.003 0.000 0.315 113 A C -2.364 175.262 177.584 0.070 0.000 0.974 113 A CA -1.474 50.563 52.037 -0.000 0.000 0.939 113 A CB -0.150 18.916 19.000 0.111 0.000 1.061 113 A HN 0.293 nan 8.150 nan 0.000 0.481 114 P HA 0.104 nan 4.420 nan 0.000 0.266 114 P C 0.384 177.673 177.300 -0.019 0.000 1.195 114 P CA 0.363 63.394 63.100 -0.114 0.000 0.768 114 P CB 0.555 32.074 31.700 -0.303 0.000 0.838 115 M N 1.662 121.272 119.600 0.017 0.000 2.313 115 M HA 0.241 4.723 4.480 0.003 0.000 0.273 115 M C 0.189 176.527 176.300 0.063 0.000 1.049 115 M CA 0.290 55.601 55.300 0.018 0.000 1.004 115 M CB 0.277 32.861 32.600 -0.026 0.000 1.461 115 M HN 0.244 nan 8.290 nan 0.000 0.514 116 I N -0.267 120.382 120.570 0.130 0.000 2.689 116 I HA 0.264 4.436 4.170 0.003 0.000 0.299 116 I C 0.427 176.686 176.117 0.237 0.000 1.059 116 I CA -0.676 60.737 61.300 0.189 0.000 1.055 116 I CB 2.359 40.499 38.000 0.233 0.000 1.243 116 I HN 0.047 nan 8.210 nan 0.000 0.425 117 S N 2.204 118.007 115.700 0.170 0.000 2.600 117 S HA 0.179 4.651 4.470 0.003 0.000 0.265 117 S C 0.459 175.198 174.600 0.230 0.000 1.325 117 S CA -0.528 57.767 58.200 0.159 0.000 1.002 117 S CB 0.963 64.219 63.200 0.093 0.000 0.921 117 S HN 0.581 nan 8.310 nan 0.000 0.554 118 D N 1.267 121.797 120.400 0.216 0.000 2.097 118 D HA -0.139 4.503 4.640 0.003 0.000 0.195 118 D C 1.838 178.208 176.300 0.117 0.000 0.989 118 D CA 1.760 55.884 54.000 0.208 0.000 0.827 118 D CB -0.522 40.380 40.800 0.169 0.000 0.966 118 D HN 0.871 nan 8.370 nan 0.000 0.456 119 D N 0.727 121.179 120.400 0.088 0.000 2.144 119 D HA -0.109 4.533 4.640 0.003 0.000 0.200 119 D C 2.023 178.346 176.300 0.038 0.000 0.978 119 D CA 0.701 54.734 54.000 0.055 0.000 0.833 119 D CB -0.322 40.508 40.800 0.050 0.000 0.961 119 D HN 0.095 nan 8.370 nan 0.000 0.470 120 V N 0.284 120.232 119.914 0.057 0.000 2.667 120 V HA -0.198 3.924 4.120 0.003 0.000 0.252 120 V C 2.227 178.324 176.094 0.004 0.000 1.065 120 V CA 1.006 63.334 62.300 0.046 0.000 1.083 120 V CB -0.976 30.892 31.823 0.076 0.000 0.692 120 V HN 0.168 nan 8.190 nan 0.000 0.468 121 Y N 2.053 122.249 120.300 -0.174 0.000 2.114 121 Y HA -0.212 4.340 4.550 0.003 0.000 0.284 121 Y C 2.535 178.271 175.900 -0.273 0.000 1.143 121 Y CA 1.967 59.843 58.100 -0.373 0.000 1.135 121 Y CB -0.376 37.518 38.460 -0.943 0.000 0.980 121 Y HN 0.271 nan 8.280 nan 0.000 0.499 122 N N 0.692 119.273 118.700 -0.198 0.000 2.069 122 N HA -0.222 4.520 4.740 0.003 0.000 0.191 122 N C 1.999 177.391 175.510 -0.197 0.000 1.031 122 N CA 2.033 54.957 53.050 -0.210 0.000 0.852 122 N CB -0.587 37.868 38.487 -0.053 0.000 1.018 122 N HN 0.453 nan 8.380 nan 0.000 0.423 123 I N 0.681 121.182 120.570 -0.115 0.000 2.118 123 I HA -0.271 3.901 4.170 0.003 0.000 0.241 123 I C 2.214 178.268 176.117 -0.106 0.000 1.070 123 I CA 0.955 62.211 61.300 -0.074 0.000 1.327 123 I CB -0.391 37.602 38.000 -0.011 0.000 1.034 123 I HN -0.089 nan 8.210 nan 0.000 0.405 124 V N 0.332 120.159 119.914 -0.145 0.000 2.287 124 V HA -0.334 3.788 4.120 0.003 0.000 0.248 124 V C 2.506 178.470 176.094 -0.216 0.000 1.053 124 V CA 1.751 63.965 62.300 -0.143 0.000 1.027 124 V CB -0.565 31.119 31.823 -0.232 0.000 0.646 124 V HN 0.385 nan 8.190 nan 0.000 0.447 125 M N -0.536 118.832 119.600 -0.386 0.000 2.159 125 M HA -0.136 4.346 4.480 0.003 0.000 0.263 125 M C 2.043 178.221 176.300 -0.204 0.000 1.063 125 M CA 1.450 56.530 55.300 -0.367 0.000 1.110 125 M CB -1.264 30.983 32.600 -0.588 0.000 1.374 125 M HN 0.433 nan 8.290 nan 0.000 0.411 126 E N 0.051 120.149 120.200 -0.169 0.000 2.482 126 E HA -0.088 4.264 4.350 0.003 0.000 0.196 126 E C 0.039 176.599 176.600 -0.066 0.000 1.047 126 E CA 0.441 56.782 56.400 -0.099 0.000 0.869 126 E CB -0.039 29.613 29.700 -0.080 0.000 0.836 126 E HN 0.573 nan 8.360 nan 0.000 0.520 127 N N -0.428 118.233 118.700 -0.064 0.000 2.536 127 N HA 0.021 4.763 4.740 0.003 0.000 0.286 127 N C 0.232 175.729 175.510 -0.022 0.000 1.577 127 N CA -0.123 52.907 53.050 -0.034 0.000 0.883 127 N CB 0.702 39.178 38.487 -0.019 0.000 1.390 127 N HN 0.021 nan 8.380 nan 0.000 0.491 128 K N 0.013 120.389 120.400 -0.040 0.000 2.020 128 K HA -0.170 4.152 4.320 0.003 0.000 0.212 128 K C 0.528 177.136 176.600 0.013 0.000 1.050 128 K CA 1.413 57.689 56.287 -0.018 0.000 0.929 128 K CB -0.139 32.332 32.500 -0.047 0.000 0.714 128 K HN 0.018 nan 8.250 nan 0.000 0.443 129 D N 1.164 121.564 120.400 0.000 0.000 2.092 129 D HA -0.155 4.487 4.640 0.003 0.000 0.193 129 D C 1.918 178.220 176.300 0.002 0.000 0.994 129 D CA 1.254 55.258 54.000 0.006 0.000 0.828 129 D CB -0.175 40.624 40.800 -0.001 0.000 0.963 129 D HN 0.298 nan 8.370 nan 0.000 0.450 130 K N -0.000 120.395 120.400 -0.008 0.000 2.032 130 K HA -0.165 4.157 4.320 0.003 0.000 0.209 130 K C 1.963 178.539 176.600 -0.039 0.000 1.048 130 K CA 0.879 57.153 56.287 -0.021 0.000 0.927 130 K CB -0.046 32.441 32.500 -0.023 0.000 0.712 130 K HN -0.015 nan 8.250 nan 0.000 0.441 131 L N 1.623 122.835 121.223 -0.019 0.000 2.109 131 L HA -0.091 4.251 4.340 0.003 0.000 0.207 131 L C 1.879 178.714 176.870 -0.059 0.000 1.086 131 L CA 1.445 56.258 54.840 -0.045 0.000 0.760 131 L CB -0.961 41.143 42.059 0.075 0.000 0.910 131 L HN 0.230 nan 8.230 nan 0.000 0.437 132 N N -0.707 118.027 118.700 0.056 0.000 2.216 132 N HA -0.111 4.631 4.740 0.003 0.000 0.183 132 N C 1.895 177.426 175.510 0.035 0.000 1.017 132 N CA 1.477 54.588 53.050 0.102 0.000 0.861 132 N CB -0.169 38.400 38.487 0.136 0.000 0.986 132 N HN 0.415 nan 8.380 nan 0.000 0.428 133 S N -0.272 115.429 115.700 0.002 0.000 2.528 133 S HA 0.266 4.738 4.470 0.003 0.000 0.219 133 S C 1.903 176.469 174.600 -0.056 0.000 0.985 133 S CA 0.357 58.556 58.200 -0.002 0.000 0.914 133 S CB 0.133 63.337 63.200 0.007 0.000 0.776 133 S HN 0.278 nan 8.310 nan 0.000 0.526 134 A N 1.882 124.624 122.820 -0.130 0.000 1.969 134 A HA 0.293 4.615 4.320 0.003 0.000 0.218 134 A C 1.027 178.433 177.584 -0.297 0.000 1.169 134 A CA 0.357 52.272 52.037 -0.202 0.000 0.635 134 A CB -0.659 18.172 19.000 -0.282 0.000 0.810 134 A HN 0.604 nan 8.150 nan 0.000 0.445 135 I N 1.241 121.565 120.570 -0.411 0.000 2.598 135 I HA 0.054 4.226 4.170 0.003 0.000 0.284 135 I C -0.694 175.234 176.117 -0.315 0.000 1.140 135 I CA -0.028 60.962 61.300 -0.516 0.000 1.420 135 I CB 1.154 38.742 38.000 -0.687 0.000 1.387 135 I HN -0.098 nan 8.210 nan 0.000 0.553 136 V N 8.104 127.926 119.914 -0.153 0.000 2.259 136 V HA 0.081 4.203 4.120 0.003 0.000 0.267 136 V C 0.272 176.282 176.094 -0.140 0.000 1.051 136 V CA -0.329 61.925 62.300 -0.075 0.000 0.830 136 V CB 0.033 31.866 31.823 0.017 0.000 1.080 136 V HN 0.608 nan 8.190 nan 0.000 0.467 137 Y N 1.062 121.383 120.300 0.034 0.000 2.421 137 Y HA -0.159 4.393 4.550 0.003 0.000 0.292 137 Y C 1.919 177.809 175.900 -0.015 0.000 1.136 137 Y CA 1.176 59.264 58.100 -0.020 0.000 1.255 137 Y CB -0.401 38.049 38.460 -0.018 0.000 0.991 137 Y HN 0.587 nan 8.280 nan 0.000 0.552 138 D N -0.029 120.497 120.400 0.210 0.000 2.221 138 D HA -0.167 4.475 4.640 0.003 0.000 0.204 138 D C 1.740 178.129 176.300 0.150 0.000 0.982 138 D CA 1.111 55.278 54.000 0.278 0.000 0.857 138 D CB -0.260 40.645 40.800 0.175 0.000 0.934 138 D HN 0.297 nan 8.370 nan 0.000 0.475 139 R N 0.330 120.825 120.500 -0.008 0.000 2.280 139 R HA -0.043 4.299 4.340 0.003 0.000 0.207 139 R C 0.823 177.018 176.300 -0.175 0.000 1.043 139 R CA 0.614 56.648 56.100 -0.110 0.000 1.006 139 R CB 0.052 30.260 30.300 -0.153 0.000 0.885 139 R HN 0.158 nan 8.270 nan 0.000 0.467 140 D N -0.044 120.219 120.400 -0.229 0.000 2.310 140 D HA -0.124 4.518 4.640 0.003 0.000 0.212 140 D C 0.576 176.628 176.300 -0.413 0.000 0.965 140 D CA 1.039 54.860 54.000 -0.298 0.000 0.879 140 D CB 0.007 40.496 40.800 -0.517 0.000 0.921 140 D HN 0.194 nan 8.370 nan 0.000 0.510 141 F N 0.501 120.409 119.950 -0.070 0.000 2.732 141 F HA 0.185 4.714 4.527 0.003 0.000 0.303 141 F C 2.041 177.724 175.800 -0.195 0.000 1.110 141 F CA 0.024 57.954 58.000 -0.117 0.000 1.355 141 F CB -0.108 38.829 39.000 -0.104 0.000 1.081 141 F HN -0.115 nan 8.300 nan 0.000 0.565 142 Q N -0.710 118.941 119.800 -0.249 0.000 2.432 142 Q HA -0.022 4.320 4.340 0.003 0.000 0.205 142 Q C -0.367 175.309 176.000 -0.539 0.000 0.945 142 Q CA 0.518 56.061 55.803 -0.434 0.000 0.924 142 Q CB 0.066 28.434 28.738 -0.617 0.000 1.016 142 Q HN 0.403 nan 8.270 nan 0.000 0.503 143 Y N 1.161 121.369 120.300 -0.153 0.000 2.327 143 Y HA 0.083 4.635 4.550 0.003 0.000 0.336 143 Y C 0.974 176.752 175.900 -0.204 0.000 1.035 143 Y CA -0.915 57.085 58.100 -0.168 0.000 1.165 143 Y CB 0.796 39.195 38.460 -0.101 0.000 1.181 143 Y HN -0.050 nan 8.280 nan 0.000 0.494 144 S N 2.083 117.674 115.700 -0.182 0.000 2.580 144 S HA -0.159 4.313 4.470 0.003 0.000 0.261 144 S C 1.026 175.340 174.600 -0.476 0.000 1.366 144 S CA -0.409 57.510 58.200 -0.469 0.000 0.996 144 S CB 0.232 62.952 63.200 -0.800 0.000 0.902 144 S HN 0.772 nan 8.310 nan 0.000 0.566 145 Y N 1.909 121.699 120.300 -0.851 0.000 2.193 145 Y HA -0.193 4.359 4.550 0.003 0.000 0.285 145 Y C 1.462 177.179 175.900 -0.305 0.000 1.166 145 Y CA 1.969 59.757 58.100 -0.519 0.000 1.181 145 Y CB -0.580 37.568 38.460 -0.520 0.000 0.976 145 Y HN 0.682 nan 8.280 nan 0.000 0.520 146 F N -1.344 118.542 119.950 -0.107 0.000 2.270 146 F HA 0.229 4.758 4.527 0.003 0.000 0.295 146 F C 2.595 178.330 175.800 -0.108 0.000 1.087 146 F CA 0.569 58.482 58.000 -0.144 0.000 1.365 146 F CB -1.464 37.490 39.000 -0.076 0.000 1.056 146 F HN -0.061 nan 8.300 nan 0.000 0.506 147 G N 0.340 109.128 108.800 -0.021 0.000 2.404 147 G HA2 -0.287 3.675 3.960 0.003 0.000 0.215 147 G HA3 -0.287 3.675 3.960 0.003 0.000 0.215 147 G C 1.640 176.481 174.900 -0.097 0.000 1.174 147 G CA 0.809 45.902 45.100 -0.013 0.000 0.780 147 G HN 0.354 nan 8.290 nan 0.000 0.537 148 F N 1.739 121.559 119.950 -0.217 0.000 2.134 148 F HA 0.003 4.532 4.527 0.003 0.000 0.299 148 F C 2.431 178.087 175.800 -0.239 0.000 1.097 148 F CA 1.607 59.444 58.000 -0.271 0.000 1.264 148 F CB 0.095 38.964 39.000 -0.220 0.000 1.001 148 F HN -0.081 nan 8.300 nan 0.000 0.479 149 K N 0.211 120.358 120.400 -0.422 0.000 2.211 149 K HA -0.060 4.262 4.320 0.003 0.000 0.203 149 K C 1.989 178.421 176.600 -0.280 0.000 1.050 149 K CA 1.481 57.499 56.287 -0.448 0.000 0.945 149 K CB -1.156 31.124 32.500 -0.366 0.000 0.732 149 K HN 0.335 nan 8.250 nan 0.000 0.451 150 T N 1.894 116.342 114.554 -0.177 0.000 2.777 150 T HA -0.027 4.325 4.350 0.003 0.000 0.266 150 T C 2.017 176.710 174.700 -0.011 0.000 1.040 150 T CA 0.761 62.836 62.100 -0.042 0.000 1.141 150 T CB -0.108 68.757 68.868 -0.005 0.000 0.868 150 T HN 0.085 nan 8.240 nan 0.000 0.444 151 L N 0.592 121.681 121.223 -0.223 0.000 2.046 151 L HA -0.086 4.255 4.340 0.003 0.000 0.208 151 L C 2.893 179.654 176.870 -0.182 0.000 1.077 151 L CA 1.444 56.155 54.840 -0.214 0.000 0.747 151 L CB -0.428 41.371 42.059 -0.433 0.000 0.896 151 L HN 0.333 nan 8.230 nan 0.000 0.432 152 E N 0.189 120.105 120.200 -0.474 0.000 2.051 152 E HA -0.292 4.060 4.350 0.003 0.000 0.192 152 E C 2.290 178.782 176.600 -0.179 0.000 0.991 152 E CA 1.371 57.526 56.400 -0.408 0.000 0.799 152 E CB 0.084 29.390 29.700 -0.657 0.000 0.748 152 E HN 0.284 nan 8.360 nan 0.000 0.449 153 R N -0.002 120.415 120.500 -0.139 0.000 2.081 153 R HA -0.077 4.265 4.340 0.003 0.000 0.235 153 R C 1.500 177.767 176.300 -0.054 0.000 1.131 153 R CA 2.167 58.224 56.100 -0.072 0.000 0.960 153 R CB 0.064 30.339 30.300 -0.042 0.000 0.856 153 R HN 0.073 nan 8.270 nan 0.000 0.436 154 S N -2.188 113.506 115.700 -0.011 0.000 2.787 154 S HA 0.214 4.686 4.470 0.003 0.000 0.255 154 S C 0.432 174.943 174.600 -0.148 0.000 1.051 154 S CA -0.683 57.445 58.200 -0.119 0.000 1.124 154 S CB 0.181 63.281 63.200 -0.167 0.000 1.104 154 S HN 0.269 nan 8.310 nan 0.000 0.623 155 Y N 1.672 122.027 120.300 0.091 0.000 2.576 155 Y HA 0.478 5.030 4.550 0.003 0.000 0.282 155 Y C 0.616 176.568 175.900 0.087 0.000 1.139 155 Y CA -0.575 57.631 58.100 0.177 0.000 1.265 155 Y CB -0.076 38.425 38.460 0.069 0.000 1.376 155 Y HN 0.063 nan 8.280 nan 0.000 0.511 156 L N 2.679 123.994 121.223 0.154 0.000 2.513 156 L HA 0.021 4.363 4.340 0.003 0.000 0.272 156 L C -0.257 176.644 176.870 0.052 0.000 1.187 156 L CA 0.006 54.899 54.840 0.088 0.000 0.895 156 L CB -0.055 42.025 42.059 0.036 0.000 1.147 156 L HN 0.108 nan 8.230 nan 0.000 0.483 157 L N 4.654 125.913 121.223 0.060 0.000 2.543 157 L HA 0.047 4.389 4.340 0.003 0.000 0.285 157 L C 0.624 177.473 176.870 -0.035 0.000 1.236 157 L CA 0.524 55.365 54.840 0.002 0.000 0.871 157 L CB -0.148 41.916 42.059 0.010 0.000 1.121 157 L HN 0.632 nan 8.230 nan 0.000 0.501 158 R N 3.680 124.123 120.500 -0.096 0.000 2.637 158 R HA 0.659 5.001 4.340 0.003 0.000 0.291 158 R C -0.973 175.197 176.300 -0.217 0.000 0.963 158 R CA -0.886 55.145 56.100 -0.114 0.000 0.901 158 R CB 2.143 32.383 30.300 -0.101 0.000 1.160 158 R HN 0.497 nan 8.270 nan 0.000 0.457 159 I N 2.557 123.018 120.570 -0.182 0.000 2.389 159 I HA 0.134 4.306 4.170 0.003 0.000 0.288 159 I C 0.045 176.115 176.117 -0.080 0.000 0.999 159 I CA -0.573 60.573 61.300 -0.257 0.000 1.129 159 I CB 1.460 39.373 38.000 -0.144 0.000 1.288 159 I HN 0.638 nan 8.210 nan 0.000 0.444 160 N N 5.216 123.897 118.700 -0.031 0.000 2.727 160 N HA -0.217 4.525 4.740 0.003 0.000 0.249 160 N C 1.032 176.544 175.510 0.004 0.000 1.048 160 N CA 1.175 54.252 53.050 0.045 0.000 0.714 160 N CB -0.517 38.024 38.487 0.089 0.000 0.959 160 N HN 1.205 nan 8.380 nan 0.000 0.544 161 G N -0.730 108.052 108.800 -0.030 0.000 2.328 161 G HA2 -0.384 3.577 3.960 0.003 0.000 0.256 161 G HA3 -0.384 3.577 3.960 0.003 0.000 0.256 161 G C -0.001 174.886 174.900 -0.021 0.000 1.014 161 G CA 0.884 45.967 45.100 -0.027 0.000 0.620 161 G HN 0.594 nan 8.290 nan 0.000 0.530 162 Q N 0.556 120.349 119.800 -0.011 0.000 2.299 162 Q HA 0.516 4.858 4.340 0.003 0.000 0.246 162 Q C 0.628 176.624 176.000 -0.006 0.000 0.935 162 Q CA -0.410 55.394 55.803 0.002 0.000 0.887 162 Q CB 1.282 30.030 28.738 0.016 0.000 1.223 162 Q HN 0.335 nan 8.270 nan 0.000 0.439 163 V N 2.163 122.083 119.914 0.010 0.000 2.637 163 V HA 0.170 4.291 4.120 0.003 0.000 0.296 163 V C 0.650 176.766 176.094 0.037 0.000 1.046 163 V CA 0.625 62.936 62.300 0.019 0.000 1.066 163 V CB 0.798 32.644 31.823 0.038 0.000 0.968 163 V HN 0.948 nan 8.190 nan 0.000 0.483 164 A N 3.092 125.937 122.820 0.041 0.000 2.358 164 A HA 0.349 4.671 4.320 0.003 0.000 0.223 164 A C 0.648 178.311 177.584 0.132 0.000 1.218 164 A CA -0.044 52.028 52.037 0.059 0.000 0.942 164 A CB 0.208 19.213 19.000 0.009 0.000 1.005 164 A HN 0.782 nan 8.150 nan 0.000 0.514 165 E N 0.401 120.698 120.200 0.161 0.000 2.210 165 E HA 0.448 4.800 4.350 0.003 0.000 0.266 165 E C -0.737 176.008 176.600 0.243 0.000 0.883 165 E CA -0.685 55.884 56.400 0.281 0.000 0.761 165 E CB 1.484 31.313 29.700 0.214 0.000 1.156 165 E HN 0.331 nan 8.360 nan 0.000 0.412 166 R N 3.472 124.130 120.500 0.263 0.000 2.490 166 R HA 0.154 4.496 4.340 0.003 0.000 0.278 166 R C -1.729 174.556 176.300 -0.025 0.000 1.069 166 R CA -1.624 54.468 56.100 -0.015 0.000 1.080 166 R CB 0.426 30.542 30.300 -0.308 0.000 1.030 166 R HN 0.325 nan 8.270 nan 0.000 0.491 167 P HA -0.256 nan 4.420 nan 0.000 0.218 167 P C 0.827 178.113 177.300 -0.023 0.000 1.154 167 P CA 1.335 64.397 63.100 -0.063 0.000 0.872 167 P CB 0.254 31.872 31.700 -0.136 0.000 0.790 168 Q N -1.581 118.181 119.800 -0.063 0.000 2.226 168 Q HA -0.181 4.160 4.340 0.003 0.000 0.204 168 Q C 2.095 178.103 176.000 0.012 0.000 0.975 168 Q CA 1.604 57.376 55.803 -0.050 0.000 0.866 168 Q CB -1.081 27.507 28.738 -0.250 0.000 0.915 168 Q HN 0.611 nan 8.270 nan 0.000 0.440 169 H N -0.105 119.038 119.070 0.121 0.000 2.363 169 H HA -0.001 4.557 4.556 0.003 0.000 0.301 169 H C 2.202 177.659 175.328 0.215 0.000 1.074 169 H CA 0.689 56.870 56.048 0.221 0.000 1.354 169 H CB 0.077 30.071 29.762 0.387 0.000 1.397 169 H HN 0.111 nan 8.280 nan 0.000 0.516 170 L N 0.920 122.305 121.223 0.271 0.000 2.042 170 L HA -0.188 4.153 4.340 0.003 0.000 0.210 170 L C 1.989 178.945 176.870 0.143 0.000 1.076 170 L CA 1.456 56.408 54.840 0.187 0.000 0.749 170 L CB -0.264 41.864 42.059 0.115 0.000 0.893 170 L HN 0.278 nan 8.230 nan 0.000 0.432 171 I N -0.901 119.733 120.570 0.107 0.000 2.315 171 I HA -0.276 3.895 4.170 0.003 0.000 0.248 171 I C 2.411 178.612 176.117 0.140 0.000 1.117 171 I CA 1.293 62.647 61.300 0.090 0.000 1.404 171 I CB -0.125 37.896 38.000 0.035 0.000 1.071 171 I HN 0.429 nan 8.210 nan 0.000 0.419 172 M N 0.463 120.119 119.600 0.095 0.000 2.236 172 M HA -0.090 4.392 4.480 0.003 0.000 0.266 172 M C 2.266 178.613 176.300 0.080 0.000 1.070 172 M CA 1.560 56.824 55.300 -0.060 0.000 1.137 172 M CB -0.487 31.698 32.600 -0.691 0.000 1.378 172 M HN -0.054 nan 8.290 nan 0.000 0.426 173 R N -0.560 120.069 120.500 0.215 0.000 2.081 173 R HA -0.119 4.223 4.340 0.003 0.000 0.235 173 R C 1.792 178.188 176.300 0.160 0.000 1.131 173 R CA 1.878 58.139 56.100 0.268 0.000 0.960 173 R CB -0.463 30.004 30.300 0.278 0.000 0.856 173 R HN 0.350 nan 8.270 nan 0.000 0.436 174 V N 0.979 120.967 119.914 0.124 0.000 2.307 174 V HA -0.225 3.897 4.120 0.003 0.000 0.245 174 V C 2.550 178.679 176.094 0.058 0.000 1.045 174 V CA 1.852 64.191 62.300 0.066 0.000 1.024 174 V CB -0.820 31.031 31.823 0.047 0.000 0.651 174 V HN 0.507 nan 8.190 nan 0.000 0.449 175 A N 0.000 122.891 122.820 0.118 0.000 1.903 175 A HA -0.219 4.103 4.320 0.003 0.000 0.219 175 A C 2.129 179.832 177.584 0.198 0.000 1.191 175 A CA 2.034 54.189 52.037 0.197 0.000 0.638 175 A CB -0.609 18.515 19.000 0.207 0.000 0.823 175 A HN 0.399 nan 8.150 nan 0.000 0.451 176 L N -0.534 120.778 121.223 0.148 0.000 2.056 176 L HA -0.051 4.290 4.340 0.003 0.000 0.207 176 L C 2.804 179.729 176.870 0.093 0.000 1.078 176 L CA 1.890 56.811 54.840 0.135 0.000 0.749 176 L CB -2.115 40.031 42.059 0.143 0.000 0.901 176 L HN 0.434 nan 8.230 nan 0.000 0.433 177 G N -0.087 108.756 108.800 0.072 0.000 2.446 177 G HA2 -0.249 3.713 3.960 0.003 0.000 0.217 177 G HA3 -0.249 3.713 3.960 0.003 0.000 0.217 177 G C 1.745 176.631 174.900 -0.022 0.000 1.168 177 G CA 0.966 46.086 45.100 0.033 0.000 0.771 177 G HN 0.363 nan 8.290 nan 0.000 0.551 178 I N -0.400 120.119 120.570 -0.085 0.000 2.202 178 I HA -0.122 4.050 4.170 0.003 0.000 0.242 178 I C 2.418 178.375 176.117 -0.267 0.000 1.091 178 I CA 1.069 62.226 61.300 -0.237 0.000 1.368 178 I CB -0.266 37.488 38.000 -0.411 0.000 1.058 178 I HN 0.174 nan 8.210 nan 0.000 0.410 179 H N 0.385 119.474 119.070 0.031 0.000 2.562 179 H HA 0.164 4.722 4.556 0.003 0.000 0.267 179 H C 1.654 177.001 175.328 0.033 0.000 0.959 179 H CA 0.746 56.816 56.048 0.037 0.000 1.204 179 H CB 0.049 29.839 29.762 0.046 0.000 1.430 179 H HN 0.412 nan 8.280 nan 0.000 0.545 180 G N 2.129 111.000 108.800 0.118 0.000 2.672 180 G HA2 -0.417 3.545 3.960 0.003 0.000 0.324 180 G HA3 -0.417 3.545 3.960 0.003 0.000 0.324 180 G C 1.404 176.353 174.900 0.082 0.000 1.286 180 G CA 0.693 45.843 45.100 0.084 0.000 1.004 180 G HN 0.320 nan 8.290 nan 0.000 0.548 181 R N 1.306 121.843 120.500 0.062 0.000 2.193 181 R HA -0.029 4.313 4.340 0.003 0.000 0.229 181 R C 1.045 177.370 176.300 0.041 0.000 1.110 181 R CA 0.988 57.113 56.100 0.042 0.000 0.988 181 R CB -0.668 29.652 30.300 0.033 0.000 0.871 181 R HN 0.535 nan 8.270 nan 0.000 0.458 182 D N 0.998 121.436 120.400 0.062 0.000 2.545 182 D HA 0.011 4.653 4.640 0.003 0.000 0.227 182 D C 1.028 177.338 176.300 0.018 0.000 1.150 182 D CA -0.077 53.948 54.000 0.042 0.000 1.046 182 D CB -0.097 40.744 40.800 0.068 0.000 1.098 182 D HN -0.087 nan 8.370 nan 0.000 0.502 183 I N 1.797 122.371 120.570 0.007 0.000 2.208 183 I HA -0.207 3.965 4.170 0.003 0.000 0.245 183 I C 2.275 178.371 176.117 -0.035 0.000 1.097 183 I CA 1.047 62.343 61.300 -0.006 0.000 1.363 183 I CB -0.176 37.821 38.000 -0.006 0.000 1.051 183 I HN 0.458 nan 8.210 nan 0.000 0.413 184 E N 0.666 120.842 120.200 -0.041 0.000 2.065 184 E HA -0.327 4.025 4.350 0.003 0.000 0.201 184 E C 2.264 178.803 176.600 -0.102 0.000 1.016 184 E CA 1.747 58.114 56.400 -0.054 0.000 0.818 184 E CB -0.166 29.509 29.700 -0.043 0.000 0.749 184 E HN 0.511 nan 8.360 nan 0.000 0.453 185 A N 0.936 123.647 122.820 -0.182 0.000 1.930 185 A HA -0.031 4.291 4.320 0.003 0.000 0.217 185 A C 2.367 179.646 177.584 -0.509 0.000 1.175 185 A CA 1.686 53.477 52.037 -0.410 0.000 0.627 185 A CB -0.687 17.943 19.000 -0.617 0.000 0.815 185 A HN 0.438 nan 8.150 nan 0.000 0.443 186 A N -0.175 122.477 122.820 -0.281 0.000 1.865 186 A HA -0.097 4.225 4.320 0.003 0.000 0.217 186 A C 2.006 179.609 177.584 0.030 0.000 1.191 186 A CA 1.798 53.825 52.037 -0.017 0.000 0.623 186 A CB -0.564 18.474 19.000 0.063 0.000 0.826 186 A HN 0.381 nan 8.150 nan 0.000 0.444 187 L N -0.137 121.085 121.223 -0.002 0.000 2.046 187 L HA -0.156 4.186 4.340 0.003 0.000 0.208 187 L C 2.426 179.349 176.870 0.087 0.000 1.077 187 L CA 2.225 57.093 54.840 0.046 0.000 0.747 187 L CB -1.521 40.538 42.059 -0.000 0.000 0.896 187 L HN 0.701 nan 8.230 nan 0.000 0.432 188 E N -0.709 119.502 120.200 0.017 0.000 2.058 188 E HA -0.233 4.119 4.350 0.003 0.000 0.194 188 E C 1.918 178.568 176.600 0.083 0.000 0.997 188 E CA 2.083 58.498 56.400 0.026 0.000 0.801 188 E CB 0.138 29.826 29.700 -0.020 0.000 0.746 188 E HN 0.366 nan 8.360 nan 0.000 0.450 189 T N -0.196 114.428 114.554 0.117 0.000 2.777 189 T HA -0.164 4.188 4.350 0.003 0.000 0.266 189 T C 1.397 176.161 174.700 0.107 0.000 1.040 189 T CA 1.244 63.486 62.100 0.235 0.000 1.141 189 T CB -0.489 68.621 68.868 0.403 0.000 0.868 189 T HN 0.384 nan 8.240 nan 0.000 0.444 190 Y N 2.800 123.107 120.300 0.013 0.000 2.081 190 Y HA -0.229 4.323 4.550 0.003 0.000 0.280 190 Y C 2.262 178.119 175.900 -0.071 0.000 1.163 190 Y CA 1.538 59.606 58.100 -0.053 0.000 1.135 190 Y CB -0.529 37.875 38.460 -0.094 0.000 0.970 190 Y HN 0.107 nan 8.280 nan 0.000 0.498 191 N N 0.623 119.234 118.700 -0.148 0.000 2.084 191 N HA -0.185 4.557 4.740 0.003 0.000 0.190 191 N C 1.961 177.365 175.510 -0.175 0.000 1.030 191 N CA 1.911 54.833 53.050 -0.214 0.000 0.849 191 N CB -0.560 37.930 38.487 0.005 0.000 1.012 191 N HN 0.439 nan 8.380 nan 0.000 0.423 192 L N 0.510 121.695 121.223 -0.063 0.000 2.046 192 L HA -0.101 4.241 4.340 0.003 0.000 0.208 192 L C 2.464 179.213 176.870 -0.203 0.000 1.077 192 L CA 0.980 55.845 54.840 0.041 0.000 0.747 192 L CB -0.301 41.888 42.059 0.217 0.000 0.896 192 L HN 0.163 nan 8.230 nan 0.000 0.432 193 M N -0.559 118.757 119.600 -0.474 0.000 2.123 193 M HA -0.148 4.334 4.480 0.003 0.000 0.263 193 M C 2.604 178.665 176.300 -0.398 0.000 1.069 193 M CA 2.004 56.954 55.300 -0.584 0.000 1.133 193 M CB -0.309 31.994 32.600 -0.496 0.000 1.356 193 M HN 0.348 nan 8.290 nan 0.000 0.415 194 S N 0.268 115.685 115.700 -0.471 0.000 2.423 194 S HA -0.067 4.405 4.470 0.003 0.000 0.231 194 S C 1.637 176.011 174.600 -0.376 0.000 1.014 194 S CA 0.743 58.670 58.200 -0.455 0.000 0.965 194 S CB -0.427 62.305 63.200 -0.780 0.000 0.785 194 S HN 0.285 nan 8.310 nan 0.000 0.495 195 L N 0.943 121.969 121.223 -0.328 0.000 2.599 195 L HA 0.347 4.689 4.340 0.003 0.000 0.230 195 L C 0.647 177.230 176.870 -0.477 0.000 1.141 195 L CA 0.825 55.469 54.840 -0.327 0.000 0.877 195 L CB -1.477 40.483 42.059 -0.165 0.000 1.009 195 L HN 0.369 nan 8.230 nan 0.000 0.447 196 K N -2.226 117.938 120.400 -0.392 0.000 3.200 196 K HA -0.255 4.067 4.320 0.003 0.000 0.272 196 K C 0.588 176.986 176.600 -0.338 0.000 1.150 196 K CA 0.390 56.480 56.287 -0.328 0.000 0.801 196 K CB -1.987 30.330 32.500 -0.304 0.000 1.269 196 K HN 0.184 nan 8.250 nan 0.000 0.500 197 Y N -0.308 119.888 120.300 -0.173 0.000 2.420 197 Y HA 0.059 4.610 4.550 0.003 0.000 0.292 197 Y C 0.955 176.994 175.900 0.232 0.000 1.119 197 Y CA 0.943 59.008 58.100 -0.058 0.000 1.229 197 Y CB 0.363 38.836 38.460 0.022 0.000 1.026 197 Y HN 0.343 nan 8.280 nan 0.000 0.554 198 F N -3.680 116.355 119.950 0.142 0.000 2.858 198 F HA 0.636 5.165 4.527 0.003 0.000 0.319 198 F C -0.985 174.839 175.800 0.040 0.000 1.166 198 F CA -1.339 56.714 58.000 0.089 0.000 0.899 198 F CB 1.431 40.469 39.000 0.064 0.000 1.332 198 F HN -0.422 nan 8.300 nan 0.000 0.461 199 T N -0.695 113.967 114.554 0.179 0.000 2.843 199 T HA 0.416 4.768 4.350 0.003 0.000 0.302 199 T C -1.960 172.814 174.700 0.124 0.000 1.232 199 T CA -0.449 61.689 62.100 0.063 0.000 1.009 199 T CB 1.341 70.213 68.868 0.005 0.000 1.254 199 T HN 0.831 nan 8.240 nan 0.000 0.504 200 H N 0.534 119.682 119.070 0.129 0.000 2.496 200 H HA 0.654 5.212 4.556 0.003 0.000 0.342 200 H C 0.557 175.909 175.328 0.039 0.000 1.170 200 H CA -0.262 55.855 56.048 0.116 0.000 1.274 200 H CB 1.610 31.436 29.762 0.107 0.000 1.538 200 H HN 0.876 nan 8.280 nan 0.000 0.542 201 A N 1.465 124.376 122.820 0.151 0.000 2.466 201 A HA 0.020 4.342 4.320 0.003 0.000 0.238 201 A C 1.469 179.056 177.584 0.005 0.000 1.074 201 A CA 0.214 52.292 52.037 0.067 0.000 0.774 201 A CB 0.161 19.201 19.000 0.065 0.000 1.015 201 A HN 0.856 nan 8.150 nan 0.000 0.498 202 S N 2.084 117.747 115.700 -0.061 0.000 2.378 202 S HA -0.160 4.312 4.470 0.003 0.000 0.229 202 S C -0.565 173.702 174.600 -0.555 0.000 1.052 202 S CA 2.366 60.385 58.200 -0.302 0.000 1.084 202 S CB -1.325 61.705 63.200 -0.283 0.000 0.950 202 S HN 0.749 nan 8.310 nan 0.000 0.440 203 P HA -0.093 nan 4.420 nan 0.000 0.216 203 P C 1.498 178.839 177.300 0.070 0.000 1.153 203 P CA 1.470 64.616 63.100 0.077 0.000 0.858 203 P CB -0.389 31.401 31.700 0.151 0.000 0.789 204 T N -0.063 114.508 114.554 0.029 0.000 2.684 204 T HA -0.145 4.207 4.350 0.003 0.000 0.267 204 T C 1.734 176.456 174.700 0.037 0.000 1.036 204 T CA 1.261 63.379 62.100 0.030 0.000 1.148 204 T CB -1.026 67.865 68.868 0.037 0.000 0.863 204 T HN 0.100 nan 8.240 nan 0.000 0.436 205 L N -0.514 120.712 121.223 0.003 0.000 2.141 205 L HA 0.023 4.365 4.340 0.003 0.000 0.209 205 L C 2.334 179.316 176.870 0.186 0.000 1.094 205 L CA 1.296 56.174 54.840 0.063 0.000 0.763 205 L CB -0.684 41.405 42.059 0.050 0.000 0.908 205 L HN 0.281 nan 8.230 nan 0.000 0.437 206 F N 0.205 120.239 119.950 0.139 0.000 2.163 206 F HA -0.103 4.426 4.527 0.003 0.000 0.297 206 F C 2.060 177.888 175.800 0.046 0.000 1.094 206 F CA 0.590 58.626 58.000 0.060 0.000 1.290 206 F CB 0.016 39.019 39.000 0.006 0.000 1.017 206 F HN 0.192 nan 8.300 nan 0.000 0.483 207 N N -0.135 118.715 118.700 0.251 0.000 2.181 207 N HA 0.171 4.913 4.740 0.003 0.000 0.207 207 N C 0.180 175.748 175.510 0.096 0.000 1.182 207 N CA 0.173 53.314 53.050 0.152 0.000 0.893 207 N CB 0.316 38.890 38.487 0.145 0.000 1.032 207 N HN -0.056 nan 8.380 nan 0.000 0.513 208 A N 0.550 123.420 122.820 0.083 0.000 2.524 208 A HA 0.469 4.790 4.320 0.003 0.000 0.250 208 A C 1.419 179.045 177.584 0.071 0.000 1.078 208 A CA 0.801 52.867 52.037 0.048 0.000 0.761 208 A CB -0.404 18.601 19.000 0.008 0.000 1.012 208 A HN 0.415 nan 8.150 nan 0.000 0.500 209 G N 2.009 110.846 108.800 0.062 0.000 2.168 209 G HA2 -0.190 3.772 3.960 0.003 0.000 0.263 209 G HA3 -0.190 3.772 3.960 0.003 0.000 0.263 209 G C 0.525 175.476 174.900 0.084 0.000 0.977 209 G CA 1.319 46.468 45.100 0.081 0.000 0.659 209 G HN 2.116 nan 8.290 nan 0.000 0.533 210 T N -2.883 111.711 114.554 0.067 0.000 2.952 210 T HA 0.742 5.094 4.350 0.003 0.000 0.286 210 T C -0.731 173.983 174.700 0.024 0.000 1.024 210 T CA -1.017 61.115 62.100 0.053 0.000 1.029 210 T CB 2.843 71.737 68.868 0.042 0.000 1.094 210 T HN -0.077 nan 8.240 nan 0.000 0.515 211 P HA -0.041 nan 4.420 nan 0.000 0.216 211 P C 0.433 177.661 177.300 -0.121 0.000 1.150 211 P CA 1.138 64.216 63.100 -0.037 0.000 0.837 211 P CB 0.180 31.852 31.700 -0.047 0.000 0.786 212 K N 0.611 120.922 120.400 -0.149 0.000 2.457 212 K HA 0.246 4.568 4.320 0.003 0.000 0.226 212 K C -2.346 174.174 176.600 -0.134 0.000 1.114 212 K CA -1.946 54.157 56.287 -0.307 0.000 1.089 212 K CB 0.588 32.892 32.500 -0.326 0.000 1.739 212 K HN 0.038 nan 8.250 nan 0.000 0.473 213 P HA 0.062 nan 4.420 nan 0.000 0.256 213 P C -0.869 176.499 177.300 0.113 0.000 1.689 213 P CA -0.305 62.824 63.100 0.048 0.000 1.124 213 P CB 0.503 32.224 31.700 0.035 0.000 1.766 214 Q N 3.134 123.024 119.800 0.150 0.000 2.466 214 Q HA 0.338 4.680 4.340 0.003 0.000 0.242 214 Q C 0.163 176.249 176.000 0.143 0.000 1.046 214 Q CA -0.127 55.785 55.803 0.182 0.000 0.841 214 Q CB 0.917 29.820 28.738 0.275 0.000 1.193 214 Q HN 0.422 nan 8.270 nan 0.000 0.508 215 M N 0.301 119.946 119.600 0.075 0.000 2.333 215 M HA 0.181 4.663 4.480 0.003 0.000 0.257 215 M C 0.315 176.645 176.300 0.051 0.000 1.078 215 M CA -0.055 55.280 55.300 0.059 0.000 1.005 215 M CB 0.855 33.461 32.600 0.010 0.000 1.444 215 M HN 0.156 nan 8.290 nan 0.000 0.496 216 S N 0.276 116.002 115.700 0.044 0.000 2.565 216 S HA 0.197 4.669 4.470 0.003 0.000 0.276 216 S C 1.020 175.617 174.600 -0.004 0.000 1.326 216 S CA -0.506 57.670 58.200 -0.041 0.000 1.045 216 S CB 1.442 64.522 63.200 -0.199 0.000 0.918 216 S HN 0.221 nan 8.310 nan 0.000 0.505 217 S N 0.394 116.055 115.700 -0.064 0.000 2.492 217 S HA 0.157 4.629 4.470 0.003 0.000 0.218 217 S C 0.298 174.877 174.600 -0.034 0.000 1.016 217 S CA -0.117 58.090 58.200 0.011 0.000 0.916 217 S CB 0.127 63.340 63.200 0.023 0.000 0.791 217 S HN 0.733 nan 8.310 nan 0.000 0.513 218 C N 1.661 120.794 119.300 -0.278 0.000 2.547 218 C HA 0.771 5.233 4.460 0.003 0.000 0.313 218 C C -1.041 173.620 174.990 -0.547 0.000 1.191 218 C CA -1.091 57.795 59.018 -0.219 0.000 1.474 218 C CB 0.391 28.041 27.740 -0.149 0.000 2.081 218 C HN 0.383 nan 8.230 nan 0.000 0.476 219 F N 2.658 122.618 119.950 0.015 0.000 2.561 219 F HA 0.665 5.194 4.527 0.003 0.000 0.313 219 F C -0.280 175.485 175.800 -0.058 0.000 1.126 219 F CA -0.821 57.171 58.000 -0.014 0.000 0.918 219 F CB 1.093 40.084 39.000 -0.015 0.000 1.199 219 F HN 0.228 nan 8.300 nan 0.000 0.444 220 L N 4.269 125.533 121.223 0.069 0.000 2.319 220 L HA 0.761 5.103 4.340 0.003 0.000 0.281 220 L C -0.924 175.910 176.870 -0.060 0.000 1.005 220 L CA -0.992 53.826 54.840 -0.036 0.000 0.828 220 L CB 1.406 43.397 42.059 -0.115 0.000 1.227 220 L HN 0.289 nan 8.230 nan 0.000 0.415 221 V N 1.883 121.715 119.914 -0.138 0.000 2.513 221 V HA 0.615 4.737 4.120 0.003 0.000 0.299 221 V C 0.522 176.333 176.094 -0.472 0.000 1.035 221 V CA -0.597 61.574 62.300 -0.215 0.000 0.889 221 V CB 1.817 33.518 31.823 -0.203 0.000 0.988 221 V HN 0.888 nan 8.190 nan 0.000 0.440 222 A N 5.099 127.633 122.820 -0.476 0.000 2.320 222 A HA 0.651 4.973 4.320 0.003 0.000 0.287 222 A C -0.059 177.263 177.584 -0.437 0.000 1.181 222 A CA -0.466 51.148 52.037 -0.705 0.000 0.831 222 A CB 0.293 19.162 19.000 -0.219 0.000 1.102 222 A HN 0.925 nan 8.150 nan 0.000 0.513 223 M N 3.285 122.602 119.600 -0.472 0.000 2.284 223 M HA 0.083 4.565 4.480 0.003 0.000 0.351 223 M C 0.967 177.207 176.300 -0.099 0.000 1.443 223 M CA 0.778 55.944 55.300 -0.224 0.000 1.031 223 M CB 0.062 32.545 32.600 -0.194 0.000 1.893 223 M HN 0.736 nan 8.290 nan 0.000 0.456 224 K N 2.667 123.040 120.400 -0.045 0.000 2.031 224 K HA -0.026 4.296 4.320 0.003 0.000 0.205 224 K C 0.288 176.904 176.600 0.026 0.000 1.049 224 K CA 1.257 57.541 56.287 -0.005 0.000 0.939 224 K CB 0.102 32.607 32.500 0.008 0.000 0.717 224 K HN 0.792 nan 8.250 nan 0.000 0.438 225 E N 0.307 120.530 120.200 0.038 0.000 2.390 225 E HA 0.011 4.363 4.350 0.003 0.000 0.280 225 E C -1.788 174.850 176.600 0.064 0.000 0.992 225 E CA -0.399 56.034 56.400 0.055 0.000 0.790 225 E CB 1.759 31.491 29.700 0.054 0.000 1.248 225 E HN -0.126 nan 8.360 nan 0.000 0.447 226 D N 2.022 122.465 120.400 0.072 0.000 2.767 226 D HA 0.150 4.792 4.640 0.003 0.000 0.231 226 D C -1.159 175.184 176.300 0.072 0.000 1.105 226 D CA 0.411 54.459 54.000 0.079 0.000 1.024 226 D CB -0.303 40.552 40.800 0.092 0.000 1.123 226 D HN 0.405 nan 8.370 nan 0.000 0.470 227 S N 0.101 115.847 115.700 0.077 0.000 2.596 227 S HA 0.322 4.793 4.470 0.003 0.000 0.270 227 S C 0.943 175.608 174.600 0.108 0.000 1.155 227 S CA -0.879 57.365 58.200 0.074 0.000 0.827 227 S CB 0.825 64.060 63.200 0.059 0.000 1.130 227 S HN -0.071 nan 8.310 nan 0.000 0.467 228 I N 1.380 122.016 120.570 0.109 0.000 2.226 228 I HA -0.107 4.065 4.170 0.003 0.000 0.245 228 I C 2.624 178.875 176.117 0.224 0.000 1.100 228 I CA 1.937 63.343 61.300 0.177 0.000 1.374 228 I CB -1.215 36.833 38.000 0.080 0.000 1.057 228 I HN 1.024 nan 8.210 nan 0.000 0.413 229 E N 0.778 121.051 120.200 0.123 0.000 2.038 229 E HA -0.200 4.152 4.350 0.003 0.000 0.195 229 E C 2.311 178.991 176.600 0.132 0.000 1.000 229 E CA 1.639 58.106 56.400 0.112 0.000 0.803 229 E CB -0.346 29.390 29.700 0.061 0.000 0.750 229 E HN 0.451 nan 8.360 nan 0.000 0.448 230 G N 0.829 109.692 108.800 0.105 0.000 2.418 230 G HA2 -0.241 3.721 3.960 0.003 0.000 0.217 230 G HA3 -0.241 3.721 3.960 0.003 0.000 0.217 230 G C 1.586 176.544 174.900 0.097 0.000 1.158 230 G CA 0.968 46.119 45.100 0.084 0.000 0.771 230 G HN 0.263 nan 8.290 nan 0.000 0.545 231 I N -0.676 119.971 120.570 0.127 0.000 2.163 231 I HA -0.216 3.956 4.170 0.003 0.000 0.243 231 I C 2.441 178.551 176.117 -0.012 0.000 1.085 231 I CA 1.228 62.593 61.300 0.109 0.000 1.347 231 I CB -0.199 37.878 38.000 0.128 0.000 1.044 231 I HN 0.147 nan 8.210 nan 0.000 0.408 232 Y N 0.238 120.558 120.300 0.034 0.000 2.337 232 Y HA -0.179 4.373 4.550 0.003 0.000 0.293 232 Y C 2.293 178.185 175.900 -0.014 0.000 1.123 232 Y CA 1.014 59.103 58.100 -0.017 0.000 1.201 232 Y CB -0.364 38.081 38.460 -0.025 0.000 1.011 232 Y HN 0.153 nan 8.280 nan 0.000 0.545 233 D N -0.736 119.733 120.400 0.115 0.000 2.149 233 D HA -0.147 4.495 4.640 0.003 0.000 0.198 233 D C 1.993 178.308 176.300 0.025 0.000 0.990 233 D CA 1.852 55.887 54.000 0.059 0.000 0.839 233 D CB -0.298 40.532 40.800 0.050 0.000 0.948 233 D HN 0.298 nan 8.370 nan 0.000 0.460 234 T N 1.040 115.614 114.554 0.034 0.000 2.812 234 T HA -0.107 4.245 4.350 0.003 0.000 0.264 234 T C 1.955 176.680 174.700 0.043 0.000 1.042 234 T CA 0.267 62.398 62.100 0.052 0.000 1.140 234 T CB -0.299 68.636 68.868 0.112 0.000 0.870 234 T HN 0.018 nan 8.240 nan 0.000 0.445 235 L N 1.641 122.799 121.223 -0.108 0.000 2.013 235 L HA -0.066 4.276 4.340 0.003 0.000 0.212 235 L C 2.404 179.175 176.870 -0.164 0.000 1.073 235 L CA 1.825 56.422 54.840 -0.405 0.000 0.753 235 L CB -0.546 41.074 42.059 -0.732 0.000 0.890 235 L HN 0.061 nan 8.230 nan 0.000 0.432 236 K N -0.560 119.795 120.400 -0.076 0.000 2.063 236 K HA -0.262 4.060 4.320 0.003 0.000 0.208 236 K C 2.140 178.727 176.600 -0.022 0.000 1.048 236 K CA 1.985 58.261 56.287 -0.017 0.000 0.928 236 K CB -0.135 32.372 32.500 0.013 0.000 0.713 236 K HN 0.525 nan 8.250 nan 0.000 0.442 237 E N -0.055 120.125 120.200 -0.034 0.000 2.072 237 E HA -0.174 4.178 4.350 0.003 0.000 0.191 237 E C 2.098 178.645 176.600 -0.088 0.000 0.985 237 E CA 1.325 57.690 56.400 -0.058 0.000 0.801 237 E CB 0.013 29.679 29.700 -0.057 0.000 0.750 237 E HN 0.399 nan 8.360 nan 0.000 0.452 238 C N 0.623 119.878 119.300 -0.075 0.000 2.429 238 C HA -0.080 4.382 4.460 0.003 0.000 0.277 238 C C 2.850 177.856 174.990 0.026 0.000 1.262 238 C CA 0.800 59.753 59.018 -0.108 0.000 1.733 238 C CB -1.161 26.478 27.740 -0.168 0.000 2.010 238 C HN 0.562 nan 8.230 nan 0.000 0.483 239 A N 0.732 123.584 122.820 0.054 0.000 1.883 239 A HA -0.136 4.186 4.320 0.003 0.000 0.217 239 A C 2.145 179.743 177.584 0.023 0.000 1.186 239 A CA 1.641 53.722 52.037 0.074 0.000 0.624 239 A CB -0.688 18.354 19.000 0.070 0.000 0.822 239 A HN 0.617 nan 8.150 nan 0.000 0.444 240 L N -0.781 120.435 121.223 -0.012 0.000 2.046 240 L HA -0.182 4.160 4.340 0.003 0.000 0.208 240 L C 2.478 179.302 176.870 -0.077 0.000 1.077 240 L CA 1.370 56.191 54.840 -0.031 0.000 0.747 240 L CB -0.536 41.502 42.059 -0.036 0.000 0.896 240 L HN 0.371 nan 8.230 nan 0.000 0.432 241 I N -0.853 119.624 120.570 -0.156 0.000 2.394 241 I HA -0.222 3.950 4.170 0.003 0.000 0.251 241 I C 2.284 178.318 176.117 -0.138 0.000 1.136 241 I CA 0.934 62.056 61.300 -0.297 0.000 1.425 241 I CB -0.147 37.529 38.000 -0.539 0.000 1.079 241 I HN 0.128 nan 8.210 nan 0.000 0.425 242 S N 0.175 115.869 115.700 -0.009 0.000 2.561 242 S HA -0.018 4.454 4.470 0.003 0.000 0.225 242 S C 1.777 176.397 174.600 0.034 0.000 0.977 242 S CA 0.450 58.700 58.200 0.083 0.000 0.926 242 S CB -0.088 63.233 63.200 0.202 0.000 0.769 242 S HN 0.307 nan 8.310 nan 0.000 0.533 243 K N 1.739 122.141 120.400 0.004 0.000 2.362 243 K HA -0.021 4.301 4.320 0.003 0.000 0.200 243 K C 1.018 177.631 176.600 0.022 0.000 1.046 243 K CA 0.796 57.081 56.287 -0.002 0.000 0.952 243 K CB -0.142 32.362 32.500 0.007 0.000 0.753 243 K HN 0.585 nan 8.250 nan 0.000 0.466 244 T N -3.124 111.455 114.554 0.043 0.000 2.910 244 T HA 0.648 5.000 4.350 0.003 0.000 0.287 244 T C -0.110 174.664 174.700 0.125 0.000 1.050 244 T CA -1.013 61.142 62.100 0.091 0.000 1.011 244 T CB 1.959 70.906 68.868 0.132 0.000 1.195 244 T HN 0.044 nan 8.240 nan 0.000 0.540 245 A N -0.178 122.750 122.820 0.180 0.000 2.429 245 A HA 0.696 5.018 4.320 0.003 0.000 0.242 245 A C 1.027 178.798 177.584 0.313 0.000 1.088 245 A CA 0.336 52.519 52.037 0.243 0.000 0.784 245 A CB -1.007 18.188 19.000 0.325 0.000 1.038 245 A HN 2.415 nan 8.150 nan 0.000 0.501 246 G N -1.287 107.699 108.800 0.310 0.000 2.640 246 G HA2 0.504 4.466 3.960 0.003 0.000 0.686 246 G HA3 0.504 4.466 3.960 0.003 0.000 0.686 246 G C -0.147 174.964 174.900 0.350 0.000 1.229 246 G CA -0.134 45.190 45.100 0.373 0.000 0.796 246 G HN 1.858 nan 8.290 nan 0.000 0.654 247 G N -0.723 108.264 108.800 0.312 0.000 2.434 247 G HA2 0.762 4.724 3.960 0.003 0.000 0.330 247 G HA3 0.762 4.724 3.960 0.003 0.000 0.330 247 G C -0.284 174.797 174.900 0.302 0.000 1.155 247 G CA -0.925 44.350 45.100 0.292 0.000 0.917 247 G HN 0.890 nan 8.290 nan 0.000 0.493 248 I N 0.573 121.294 120.570 0.253 0.000 2.433 248 I HA 0.449 4.621 4.170 0.003 0.000 0.292 248 I C 0.558 176.752 176.117 0.128 0.000 1.001 248 I CA -0.766 60.605 61.300 0.119 0.000 1.119 248 I CB 2.313 40.199 38.000 -0.189 0.000 1.289 248 I HN 0.555 nan 8.210 nan 0.000 0.438 249 G N 6.294 115.149 108.800 0.093 0.000 2.335 249 G HA2 0.605 4.567 3.960 0.003 0.000 0.316 249 G HA3 0.605 4.567 3.960 0.003 0.000 0.316 249 G C -1.452 173.444 174.900 -0.006 0.000 1.129 249 G CA -0.313 44.867 45.100 0.134 0.000 0.899 249 G HN 0.387 nan 8.290 nan 0.000 0.448 250 L N 3.822 125.054 121.223 0.015 0.000 2.376 250 L HA 0.482 4.824 4.340 0.003 0.000 0.275 250 L C -0.147 176.630 176.870 -0.154 0.000 0.987 250 L CA -0.955 53.775 54.840 -0.183 0.000 0.828 250 L CB 1.314 43.194 42.059 -0.298 0.000 1.249 250 L HN 0.738 nan 8.230 nan 0.000 0.409 251 H N 4.973 123.873 119.070 -0.283 0.000 2.473 251 H HA 0.466 5.024 4.556 0.003 0.000 0.327 251 H C -0.025 174.989 175.328 -0.523 0.000 1.105 251 H CA -0.740 55.019 56.048 -0.481 0.000 1.280 251 H CB 1.498 30.890 29.762 -0.617 0.000 1.450 251 H HN 0.815 nan 8.280 nan 0.000 0.492 252 I N -0.080 120.169 120.570 -0.534 0.000 3.817 252 I HA 0.124 4.295 4.170 0.003 0.000 0.325 252 I C 0.448 176.387 176.117 -0.298 0.000 1.550 252 I CA -0.735 60.333 61.300 -0.387 0.000 1.100 252 I CB -0.050 37.721 38.000 -0.381 0.000 1.216 252 I HN 0.442 nan 8.210 nan 0.000 0.481 253 H N 2.645 121.694 119.070 -0.035 0.000 2.457 253 H HA -0.082 4.476 4.556 0.003 0.000 0.297 253 H C 1.304 176.783 175.328 0.252 0.000 1.092 253 H CA 1.642 57.713 56.048 0.038 0.000 1.309 253 H CB -0.400 29.441 29.762 0.132 0.000 1.382 253 H HN 0.648 nan 8.280 nan 0.000 0.535 254 N N 1.049 119.914 118.700 0.276 0.000 2.398 254 N HA -0.036 4.706 4.740 0.003 0.000 0.188 254 N C 0.312 175.949 175.510 0.213 0.000 1.122 254 N CA 0.092 53.299 53.050 0.262 0.000 0.866 254 N CB 0.243 38.847 38.487 0.195 0.000 0.970 254 N HN 0.115 nan 8.380 nan 0.000 0.462 255 I N 1.980 122.671 120.570 0.202 0.000 2.312 255 I HA 0.182 4.353 4.170 0.003 0.000 0.291 255 I C 0.835 177.135 176.117 0.305 0.000 1.031 255 I CA -0.847 60.564 61.300 0.186 0.000 1.293 255 I CB 0.316 38.367 38.000 0.086 0.000 1.403 255 I HN -0.044 nan 8.210 nan 0.000 0.484 256 R N 3.760 124.378 120.500 0.197 0.000 2.543 256 R HA -0.097 4.245 4.340 0.003 0.000 0.280 256 R C 0.653 177.053 176.300 0.167 0.000 0.885 256 R CA 0.343 56.533 56.100 0.149 0.000 1.130 256 R CB 0.327 30.692 30.300 0.109 0.000 0.871 256 R HN 0.848 nan 8.270 nan 0.000 0.424 257 S N 2.072 117.825 115.700 0.088 0.000 2.661 257 S HA 0.155 4.627 4.470 0.003 0.000 0.265 257 S C 0.009 174.672 174.600 0.105 0.000 1.225 257 S CA -0.975 57.294 58.200 0.115 0.000 0.986 257 S CB 1.095 64.272 63.200 -0.038 0.000 1.008 257 S HN 0.530 nan 8.310 nan 0.000 0.565 258 T N 1.310 115.932 114.554 0.113 0.000 2.905 258 T HA 0.425 4.777 4.350 0.003 0.000 0.299 258 T C 1.496 176.240 174.700 0.073 0.000 1.024 258 T CA 1.046 63.201 62.100 0.092 0.000 1.151 258 T CB -0.374 68.548 68.868 0.091 0.000 0.987 258 T HN 1.604 nan 8.240 nan 0.000 0.535 259 G N 3.113 111.955 108.800 0.069 0.000 2.199 259 G HA2 -0.288 3.674 3.960 0.003 0.000 0.254 259 G HA3 -0.288 3.674 3.960 0.003 0.000 0.254 259 G C 0.476 175.424 174.900 0.081 0.000 0.982 259 G CA 0.110 45.249 45.100 0.066 0.000 0.632 259 G HN 0.806 nan 8.290 nan 0.000 0.529 260 S N -0.250 115.500 115.700 0.084 0.000 2.576 260 S HA 0.430 4.902 4.470 0.003 0.000 0.272 260 S C 0.075 174.759 174.600 0.141 0.000 1.352 260 S CA -0.059 58.205 58.200 0.107 0.000 1.021 260 S CB 0.739 63.995 63.200 0.093 0.000 0.887 260 S HN 0.767 nan 8.310 nan 0.000 0.542 261 Y N 2.100 122.412 120.300 0.019 0.000 2.309 261 Y HA 0.520 5.072 4.550 0.003 0.000 0.327 261 Y C -0.455 175.459 175.900 0.023 0.000 1.172 261 Y CA -0.506 57.604 58.100 0.018 0.000 1.280 261 Y CB 0.322 38.788 38.460 0.010 0.000 1.234 261 Y HN 0.456 nan 8.280 nan 0.000 0.512 262 I N 6.353 126.592 120.570 -0.552 0.000 2.382 262 I HA 0.466 4.638 4.170 0.003 0.000 0.286 262 I C -0.106 175.504 176.117 -0.845 0.000 1.002 262 I CA -1.084 59.900 61.300 -0.526 0.000 1.135 262 I CB 1.250 39.116 38.000 -0.224 0.000 1.288 262 I HN 0.817 nan 8.210 nan 0.000 0.448 263 A N 4.370 126.747 122.820 -0.737 0.000 2.462 263 A HA 0.509 4.831 4.320 0.003 0.000 0.243 263 A C 1.206 178.670 177.584 -0.200 0.000 1.076 263 A CA 0.557 52.320 52.037 -0.457 0.000 0.773 263 A CB -0.074 18.851 19.000 -0.124 0.000 1.010 263 A HN 1.310 nan 8.150 nan 0.000 0.493 264 G N 0.465 109.211 108.800 -0.090 0.000 2.246 264 G HA2 0.124 4.086 3.960 0.003 0.000 0.273 264 G HA3 0.124 4.086 3.960 0.003 0.000 0.273 264 G C 0.253 175.118 174.900 -0.059 0.000 1.055 264 G CA 1.003 46.077 45.100 -0.043 0.000 0.851 264 G HN 2.521 nan 8.290 nan 0.000 0.500 265 T N -1.741 112.769 114.554 -0.074 0.000 3.610 265 T HA 0.345 4.697 4.350 0.003 0.000 0.419 265 T C 0.881 175.568 174.700 -0.021 0.000 1.582 265 T CA 0.314 62.388 62.100 -0.044 0.000 1.146 265 T CB 0.166 69.003 68.868 -0.050 0.000 1.460 265 T HN 0.041 nan 8.240 nan 0.000 0.465 266 N N 2.108 120.822 118.700 0.023 0.000 2.417 266 N HA 0.037 4.779 4.740 0.003 0.000 0.187 266 N C 1.232 176.767 175.510 0.042 0.000 1.027 266 N CA 1.312 54.393 53.050 0.052 0.000 0.891 266 N CB -0.278 38.234 38.487 0.043 0.000 0.956 266 N HN 0.805 nan 8.380 nan 0.000 0.442 267 G N -0.448 108.358 108.800 0.011 0.000 2.614 267 G HA2 0.302 4.264 3.960 0.003 0.000 0.239 267 G HA3 0.302 4.264 3.960 0.003 0.000 0.239 267 G C 0.119 175.021 174.900 0.004 0.000 1.240 267 G CA 0.010 45.114 45.100 0.006 0.000 0.842 267 G HN 0.258 nan 8.290 nan 0.000 0.584 268 T N -2.068 112.500 114.554 0.023 0.000 2.916 268 T HA 0.598 4.950 4.350 0.003 0.000 0.292 268 T C 0.322 175.041 174.700 0.032 0.000 1.055 268 T CA -0.413 61.709 62.100 0.036 0.000 1.009 268 T CB 1.603 70.511 68.868 0.067 0.000 1.118 268 T HN 0.737 nan 8.240 nan 0.000 0.497 269 S N 0.232 115.956 115.700 0.040 0.000 2.558 269 S HA 0.011 4.483 4.470 0.003 0.000 0.291 269 S C 1.060 175.697 174.600 0.061 0.000 1.306 269 S CA -0.025 58.206 58.200 0.052 0.000 1.056 269 S CB -0.503 62.737 63.200 0.067 0.000 0.836 269 S HN 0.754 nan 8.310 nan 0.000 0.504 270 N N 2.482 121.221 118.700 0.064 0.000 2.416 270 N HA 0.261 5.003 4.740 0.003 0.000 0.177 270 N C 0.956 176.515 175.510 0.082 0.000 1.036 270 N CA 0.391 53.481 53.050 0.067 0.000 0.901 270 N CB -0.067 38.458 38.487 0.064 0.000 0.976 270 N HN 0.917 nan 8.380 nan 0.000 0.444 271 G N 0.498 109.357 108.800 0.098 0.000 2.615 271 G HA2 -0.273 3.689 3.960 0.003 0.000 0.218 271 G HA3 -0.273 3.689 3.960 0.003 0.000 0.218 271 G C 0.394 175.365 174.900 0.119 0.000 1.339 271 G CA -0.394 44.782 45.100 0.126 0.000 0.884 271 G HN 0.074 nan 8.290 nan 0.000 0.559 272 L N 0.163 121.464 121.223 0.130 0.000 2.072 272 L HA -0.015 4.327 4.340 0.003 0.000 0.205 272 L C 3.136 180.055 176.870 0.081 0.000 1.079 272 L CA 1.107 55.995 54.840 0.080 0.000 0.752 272 L CB -0.589 41.491 42.059 0.034 0.000 0.906 272 L HN 0.549 nan 8.230 nan 0.000 0.436 273 I N 0.515 121.139 120.570 0.089 0.000 2.127 273 I HA -0.184 3.988 4.170 0.003 0.000 0.241 273 I C -0.004 176.150 176.117 0.061 0.000 1.075 273 I CA 1.834 63.175 61.300 0.068 0.000 1.334 273 I CB -2.634 35.400 38.000 0.057 0.000 1.040 273 I HN 0.159 nan 8.210 nan 0.000 0.405 274 P HA -0.161 nan 4.420 nan 0.000 0.218 274 P C 2.107 179.461 177.300 0.089 0.000 1.148 274 P CA 1.407 64.547 63.100 0.067 0.000 0.822 274 P CB -0.138 31.602 31.700 0.066 0.000 0.784 275 M N -1.394 118.270 119.600 0.106 0.000 2.288 275 M HA -0.089 4.393 4.480 0.003 0.000 0.266 275 M C 1.347 177.781 176.300 0.223 0.000 1.072 275 M CA 1.579 56.971 55.300 0.153 0.000 1.132 275 M CB -0.293 32.390 32.600 0.139 0.000 1.386 275 M HN -0.191 nan 8.290 nan 0.000 0.432 276 I N 0.764 121.416 120.570 0.137 0.000 2.226 276 I HA -0.238 3.934 4.170 0.003 0.000 0.245 276 I C 2.396 178.600 176.117 0.145 0.000 1.100 276 I CA 1.369 62.744 61.300 0.125 0.000 1.374 276 I CB -1.470 36.559 38.000 0.048 0.000 1.057 276 I HN 0.350 nan 8.210 nan 0.000 0.413 277 R N 0.172 120.724 120.500 0.087 0.000 2.103 277 R HA -0.158 4.183 4.340 0.003 0.000 0.242 277 R C 2.333 178.666 176.300 0.055 0.000 1.142 277 R CA 1.546 57.676 56.100 0.049 0.000 0.960 277 R CB -0.543 29.774 30.300 0.029 0.000 0.858 277 R HN 0.235 nan 8.270 nan 0.000 0.439 278 V N 0.571 120.529 119.914 0.073 0.000 2.252 278 V HA -0.280 3.842 4.120 0.003 0.000 0.249 278 V C 2.043 178.109 176.094 -0.047 0.000 1.056 278 V CA 1.986 64.281 62.300 -0.008 0.000 1.022 278 V CB -0.639 31.139 31.823 -0.074 0.000 0.641 278 V HN 0.178 nan 8.190 nan 0.000 0.445 279 F N 0.690 120.635 119.950 -0.009 0.000 2.126 279 F HA -0.205 4.324 4.527 0.004 0.000 0.299 279 F C 2.374 178.167 175.800 -0.011 0.000 1.096 279 F CA 2.224 60.266 58.000 0.069 0.000 1.255 279 F CB -0.647 38.436 39.000 0.139 0.000 0.997 279 F HN 0.209 nan 8.300 nan 0.000 0.479 280 N N 0.152 118.918 118.700 0.111 0.000 2.104 280 N HA -0.237 4.505 4.740 0.003 0.000 0.190 280 N C 1.840 177.300 175.510 -0.083 0.000 1.024 280 N CA 1.413 54.436 53.050 -0.044 0.000 0.853 280 N CB -0.272 38.192 38.487 -0.039 0.000 1.008 280 N HN 0.068 nan 8.380 nan 0.000 0.424 281 N N -0.712 117.963 118.700 -0.041 0.000 2.188 281 N HA -0.080 4.662 4.740 0.003 0.000 0.184 281 N C 1.068 176.566 175.510 -0.020 0.000 1.018 281 N CA 1.272 54.300 53.050 -0.038 0.000 0.858 281 N CB -0.215 38.250 38.487 -0.037 0.000 0.989 281 N HN 0.286 nan 8.380 nan 0.000 0.426 282 T N 0.500 115.036 114.554 -0.031 0.000 2.867 282 T HA 0.023 4.375 4.350 0.003 0.000 0.268 282 T C 1.812 176.506 174.700 -0.010 0.000 1.057 282 T CA 1.062 63.180 62.100 0.030 0.000 1.136 282 T CB -0.147 68.718 68.868 -0.005 0.000 0.874 282 T HN 0.351 nan 8.240 nan 0.000 0.466 283 A N 1.582 124.264 122.820 -0.231 0.000 1.968 283 A HA -0.023 4.299 4.320 0.003 0.000 0.217 283 A C 2.350 179.820 177.584 -0.191 0.000 1.169 283 A CA 0.997 52.763 52.037 -0.452 0.000 0.638 283 A CB -0.330 18.108 19.000 -0.938 0.000 0.812 283 A HN 0.380 nan 8.150 nan 0.000 0.446 284 R N -2.206 118.230 120.500 -0.107 0.000 2.090 284 R HA -0.093 4.249 4.340 0.003 0.000 0.228 284 R C 2.119 178.440 176.300 0.036 0.000 1.110 284 R CA 1.509 57.587 56.100 -0.036 0.000 0.973 284 R CB -0.426 29.860 30.300 -0.023 0.000 0.869 284 R HN 0.681 nan 8.270 nan 0.000 0.440 285 Y N 1.377 121.639 120.300 -0.063 0.000 2.153 285 Y HA -0.069 4.483 4.550 0.003 0.000 0.289 285 Y C 0.948 176.832 175.900 -0.027 0.000 1.127 285 Y CA 0.730 58.806 58.100 -0.040 0.000 1.131 285 Y CB 0.082 38.521 38.460 -0.035 0.000 0.995 285 Y HN -0.295 nan 8.280 nan 0.000 0.505 286 V N 3.264 123.067 119.914 -0.184 0.000 1.973 286 V HA -0.010 4.112 4.120 0.003 0.000 0.255 286 V C 0.513 176.522 176.094 -0.142 0.000 1.605 286 V CA 0.256 62.401 62.300 -0.259 0.000 1.542 286 V CB -0.664 31.092 31.823 -0.112 0.000 1.504 286 V HN 0.350 nan 8.190 nan 0.000 0.505 287 D N 2.145 122.451 120.400 -0.157 0.000 2.378 287 D HA -0.095 4.546 4.640 0.003 0.000 0.222 287 D C 1.349 177.599 176.300 -0.084 0.000 0.980 287 D CA 0.450 54.395 54.000 -0.093 0.000 0.907 287 D CB 0.248 40.997 40.800 -0.086 0.000 0.899 287 D HN 0.697 nan 8.370 nan 0.000 0.527 288 Q N -2.321 117.418 119.800 -0.101 0.000 2.385 288 Q HA -0.224 4.118 4.340 0.003 0.000 0.215 288 Q C 0.907 176.847 176.000 -0.100 0.000 0.671 288 Q CA 0.925 56.674 55.803 -0.091 0.000 1.335 288 Q CB -1.343 27.349 28.738 -0.076 0.000 1.425 288 Q HN 0.440 nan 8.270 nan 0.000 0.781 289 G N -1.872 106.860 108.800 -0.115 0.000 1.781 289 G HA2 0.210 4.172 3.960 0.003 0.000 0.082 289 G HA3 0.210 4.172 3.960 0.003 0.000 0.082 289 G C 0.074 174.925 174.900 -0.082 0.000 0.919 289 G CA -0.249 44.792 45.100 -0.098 0.000 1.202 289 G HN 0.788 nan 8.290 nan 0.000 0.393 290 G N 1.390 110.151 108.800 -0.066 0.000 4.885 290 G HA2 0.566 4.528 3.960 0.003 0.000 0.263 290 G HA3 0.566 4.528 3.960 0.003 0.000 0.263 290 G C -0.188 174.682 174.900 -0.051 0.000 1.168 290 G CA 0.797 45.867 45.100 -0.050 0.000 0.906 290 G HN 1.077 nan 8.290 nan 0.000 0.575 291 N N -1.428 117.235 118.700 -0.063 0.000 2.619 291 N HA 0.667 5.409 4.740 0.003 0.000 0.294 291 N C -0.654 174.823 175.510 -0.054 0.000 1.279 291 N CA -1.067 51.941 53.050 -0.069 0.000 0.867 291 N CB 0.962 39.387 38.487 -0.104 0.000 1.329 291 N HN -0.145 nan 8.380 nan 0.000 0.557 292 K N -0.322 120.046 120.400 -0.054 0.000 2.459 292 K HA 0.453 4.775 4.320 0.003 0.000 0.218 292 K C -0.844 175.753 176.600 -0.005 0.000 1.067 292 K CA -0.367 55.906 56.287 -0.024 0.000 1.045 292 K CB 0.500 32.991 32.500 -0.016 0.000 1.623 292 K HN 0.635 nan 8.250 nan 0.000 0.509 293 R N -0.206 120.301 120.500 0.012 0.000 2.481 293 R HA 0.163 4.505 4.340 0.003 0.000 0.396 293 R C -2.478 173.862 176.300 0.068 0.000 0.950 293 R CA -0.990 55.143 56.100 0.056 0.000 1.095 293 R CB -0.542 29.805 30.300 0.079 0.000 1.472 293 R HN 0.284 nan 8.270 nan 0.000 0.628 294 P HA 0.724 nan 4.420 nan 0.000 0.287 294 P C 0.599 177.919 177.300 0.033 0.000 1.270 294 P CA 0.063 63.180 63.100 0.028 0.000 0.844 294 P CB 1.384 33.083 31.700 -0.001 0.000 1.068 295 G N 0.209 109.005 108.800 -0.007 0.000 2.464 295 G HA2 0.325 4.287 3.960 0.003 0.000 0.216 295 G HA3 0.325 4.287 3.960 0.003 0.000 0.216 295 G C -0.444 174.454 174.900 -0.002 0.000 1.186 295 G CA 0.229 45.300 45.100 -0.047 0.000 1.010 295 G HN 1.368 nan 8.290 nan 0.000 0.585 296 A N -1.207 121.687 122.820 0.123 0.000 2.026 296 A HA 0.115 4.437 4.320 0.003 0.000 0.259 296 A C -0.019 177.861 177.584 0.492 0.000 1.374 296 A CA 1.453 53.714 52.037 0.373 0.000 0.717 296 A CB -2.128 17.097 19.000 0.375 0.000 1.187 296 A HN 1.921 nan 8.150 nan 0.000 0.296 297 F N 0.241 120.354 119.950 0.273 0.000 2.482 297 F HA 0.615 5.143 4.527 0.003 0.000 0.331 297 F C 0.803 176.762 175.800 0.265 0.000 1.115 297 F CA -0.544 57.589 58.000 0.221 0.000 0.955 297 F CB 2.166 41.258 39.000 0.154 0.000 1.136 297 F HN 0.795 nan 8.300 nan 0.000 0.452 298 A N 5.003 128.080 122.820 0.429 0.000 2.309 298 A HA 0.737 5.059 4.320 0.003 0.000 0.298 298 A C -0.902 176.793 177.584 0.186 0.000 1.165 298 A CA -0.508 51.712 52.037 0.306 0.000 0.821 298 A CB 0.661 19.876 19.000 0.359 0.000 1.102 298 A HN 0.791 nan 8.150 nan 0.000 0.500 299 L N 2.142 123.384 121.223 0.033 0.000 2.322 299 L HA 0.426 4.768 4.340 0.003 0.000 0.281 299 L C -1.300 175.529 176.870 -0.069 0.000 1.014 299 L CA -0.507 54.360 54.840 0.045 0.000 0.815 299 L CB 1.295 43.432 42.059 0.129 0.000 1.247 299 L HN 0.692 nan 8.230 nan 0.000 0.421 300 Y N 4.039 124.299 120.300 -0.066 0.000 2.331 300 Y HA 0.600 5.152 4.550 0.003 0.000 0.338 300 Y C -0.180 175.514 175.900 -0.343 0.000 0.992 300 Y CA -0.362 57.662 58.100 -0.127 0.000 1.121 300 Y CB 1.596 39.920 38.460 -0.227 0.000 1.184 300 Y HN 0.365 nan 8.280 nan 0.000 0.469 301 L N 3.540 124.637 121.223 -0.210 0.000 2.431 301 L HA 0.425 4.767 4.340 0.003 0.000 0.266 301 L C -0.817 175.960 176.870 -0.155 0.000 0.978 301 L CA -0.820 53.796 54.840 -0.373 0.000 0.822 301 L CB 2.194 43.521 42.059 -1.220 0.000 1.310 301 L HN 0.648 nan 8.230 nan 0.000 0.409 302 E N 5.165 125.244 120.200 -0.202 0.000 2.360 302 E HA 0.100 4.452 4.350 0.003 0.000 0.269 302 E C -1.665 174.560 176.600 -0.625 0.000 1.022 302 E CA -1.583 54.523 56.400 -0.491 0.000 0.887 302 E CB 0.837 30.113 29.700 -0.705 0.000 0.990 302 E HN 0.374 nan 8.360 nan 0.000 0.426 303 P HA -0.168 nan 4.420 nan 0.000 0.234 303 P C 0.620 178.058 177.300 0.229 0.000 1.162 303 P CA 1.068 63.958 63.100 -0.350 0.000 0.759 303 P CB -0.101 31.017 31.700 -0.970 0.000 0.813 304 W N -1.275 120.358 121.300 0.555 0.000 3.003 304 W HA 0.111 4.773 4.660 0.002 0.000 0.257 304 W C 0.610 177.318 176.519 0.315 0.000 1.308 304 W CA -0.474 57.167 57.345 0.493 0.000 1.529 304 W CB -1.601 28.195 29.460 0.561 0.000 1.115 304 W HN -0.033 nan 8.180 nan 0.000 0.659 305 H N 1.937 121.034 119.070 0.045 0.000 2.886 305 H HA 0.215 4.773 4.556 0.003 0.000 0.329 305 H C 1.291 176.721 175.328 0.169 0.000 1.044 305 H CA 1.037 57.153 56.048 0.114 0.000 1.456 305 H CB 1.898 31.492 29.762 -0.282 0.000 1.464 305 H HN 0.083 nan 8.280 nan 0.000 0.573 306 A N 4.311 127.164 122.820 0.055 0.000 2.070 306 A HA -0.151 4.171 4.320 0.003 0.000 0.220 306 A C 1.519 179.247 177.584 0.239 0.000 1.159 306 A CA 1.419 53.533 52.037 0.129 0.000 0.656 306 A CB 0.006 19.029 19.000 0.038 0.000 0.800 306 A HN 0.721 nan 8.150 nan 0.000 0.453 307 D N -0.772 119.861 120.400 0.387 0.000 2.319 307 D HA 0.068 4.710 4.640 0.003 0.000 0.230 307 D C 1.248 177.714 176.300 0.277 0.000 1.094 307 D CA -0.019 54.185 54.000 0.339 0.000 0.856 307 D CB 0.073 41.083 40.800 0.350 0.000 0.915 307 D HN 0.426 nan 8.370 nan 0.000 0.517 308 I N -0.366 120.348 120.570 0.240 0.000 2.315 308 I HA -0.203 3.968 4.170 0.003 0.000 0.248 308 I C 1.584 177.777 176.117 0.127 0.000 1.117 308 I CA 1.187 62.552 61.300 0.109 0.000 1.404 308 I CB -0.146 37.831 38.000 -0.038 0.000 1.071 308 I HN -0.132 nan 8.210 nan 0.000 0.419 309 F N 0.488 120.527 119.950 0.149 0.000 2.293 309 F HA -0.174 4.354 4.527 0.002 0.000 0.300 309 F C 2.169 178.021 175.800 0.087 0.000 1.086 309 F CA 1.289 59.360 58.000 0.118 0.000 1.375 309 F CB -0.403 38.665 39.000 0.113 0.000 1.045 309 F HN 0.129 nan 8.300 nan 0.000 0.516 310 D N -0.845 119.713 120.400 0.263 0.000 2.216 310 D HA -0.114 4.528 4.640 0.003 0.000 0.208 310 D C 1.985 178.336 176.300 0.084 0.000 0.960 310 D CA 0.631 54.719 54.000 0.147 0.000 0.861 310 D CB -0.547 40.333 40.800 0.134 0.000 0.985 310 D HN 0.200 nan 8.370 nan 0.000 0.493 311 F N 2.394 122.334 119.950 -0.017 0.000 2.069 311 F HA -0.179 4.350 4.527 0.003 0.000 0.298 311 F C 2.124 177.849 175.800 -0.124 0.000 1.113 311 F CA 1.410 59.358 58.000 -0.088 0.000 1.214 311 F CB -0.417 38.509 39.000 -0.123 0.000 0.978 311 F HN -0.063 nan 8.300 nan 0.000 0.474 312 I N -1.759 118.760 120.570 -0.085 0.000 2.567 312 I HA -0.173 3.999 4.170 0.003 0.000 0.257 312 I C 0.896 176.861 176.117 -0.254 0.000 1.184 312 I CA 1.693 62.866 61.300 -0.213 0.000 1.451 312 I CB -0.710 37.249 38.000 -0.068 0.000 1.089 312 I HN 0.035 nan 8.210 nan 0.000 0.441 313 D N 0.689 120.979 120.400 -0.184 0.000 2.369 313 D HA 0.206 4.848 4.640 0.003 0.000 0.211 313 D C 1.875 178.054 176.300 -0.200 0.000 1.077 313 D CA 0.180 54.093 54.000 -0.145 0.000 0.842 313 D CB 0.166 40.930 40.800 -0.060 0.000 0.947 313 D HN 0.351 nan 8.370 nan 0.000 0.509 314 I N 0.452 120.850 120.570 -0.287 0.000 2.502 314 I HA -0.232 3.940 4.170 0.003 0.000 0.258 314 I C 1.856 177.814 176.117 -0.264 0.000 1.172 314 I CA 1.190 62.321 61.300 -0.282 0.000 1.430 314 I CB 0.207 37.978 38.000 -0.381 0.000 1.086 314 I HN -0.097 nan 8.210 nan 0.000 0.440 315 R N -0.117 120.221 120.500 -0.271 0.000 2.334 315 R HA 0.107 4.449 4.340 0.003 0.000 0.216 315 R C 0.383 176.593 176.300 -0.149 0.000 0.905 315 R CA -0.147 55.815 56.100 -0.229 0.000 1.064 315 R CB 0.182 30.331 30.300 -0.253 0.000 1.046 315 R HN 0.194 nan 8.270 nan 0.000 0.508 316 K N 1.476 121.787 120.400 -0.148 0.000 2.484 316 K HA -0.080 4.242 4.320 0.003 0.000 0.280 316 K C 0.867 177.397 176.600 -0.116 0.000 1.013 316 K CA 0.151 56.365 56.287 -0.122 0.000 1.029 316 K CB 0.550 32.899 32.500 -0.251 0.000 0.902 316 K HN 0.074 nan 8.250 nan 0.000 0.481 317 N N 2.048 120.764 118.700 0.027 0.000 2.333 317 N HA -0.141 4.601 4.740 0.003 0.000 0.178 317 N C 0.743 176.282 175.510 0.048 0.000 1.018 317 N CA 0.706 53.776 53.050 0.033 0.000 0.882 317 N CB 0.174 38.696 38.487 0.059 0.000 0.984 317 N HN 0.607 nan 8.380 nan 0.000 0.434 318 H N -1.044 118.011 119.070 -0.024 0.000 2.820 318 H HA 0.375 4.933 4.556 0.003 0.000 0.291 318 H C 0.435 175.754 175.328 -0.015 0.000 1.412 318 H CA -0.319 55.719 56.048 -0.016 0.000 1.176 318 H CB -1.121 28.635 29.762 -0.009 0.000 1.467 318 H HN 0.196 nan 8.280 nan 0.000 0.517 319 G N 0.559 109.259 108.800 -0.167 0.000 2.634 319 G HA2 0.063 4.025 3.960 0.003 0.000 0.255 319 G HA3 0.063 4.025 3.960 0.003 0.000 0.255 319 G C 0.488 175.328 174.900 -0.099 0.000 1.205 319 G CA -0.790 44.198 45.100 -0.186 0.000 0.884 319 G HN 0.432 nan 8.290 nan 0.000 0.549 320 K N 0.034 120.381 120.400 -0.088 0.000 2.551 320 K HA 0.122 4.444 4.320 0.003 0.000 0.204 320 K C 0.808 177.384 176.600 -0.039 0.000 1.033 320 K CA 0.676 56.936 56.287 -0.046 0.000 1.187 320 K CB -0.241 32.239 32.500 -0.034 0.000 0.900 320 K HN 0.780 nan 8.250 nan 0.000 0.499 321 E N -1.098 119.072 120.200 -0.050 0.000 3.925 321 E HA -0.391 3.961 4.350 0.003 0.000 0.197 321 E C 0.918 177.495 176.600 -0.038 0.000 1.179 321 E CA 1.788 58.164 56.400 -0.040 0.000 2.268 321 E CB -1.160 28.525 29.700 -0.026 0.000 1.806 321 E HN 0.562 nan 8.360 nan 0.000 0.369 322 E N 1.875 122.059 120.200 -0.026 0.000 2.338 322 E HA -0.061 4.291 4.350 0.003 0.000 0.197 322 E C 1.707 178.295 176.600 -0.021 0.000 1.007 322 E CA 1.410 57.798 56.400 -0.020 0.000 0.849 322 E CB -0.110 29.585 29.700 -0.009 0.000 0.774 322 E HN 0.456 nan 8.360 nan 0.000 0.506 323 I N 1.148 121.701 120.570 -0.028 0.000 3.176 323 I HA 0.023 4.195 4.170 0.003 0.000 0.275 323 I C 0.916 177.002 176.117 -0.051 0.000 1.298 323 I CA 0.567 61.850 61.300 -0.028 0.000 1.445 323 I CB -0.933 37.050 38.000 -0.028 0.000 1.075 323 I HN 0.091 nan 8.210 nan 0.000 0.482 324 R N 1.197 121.656 120.500 -0.068 0.000 2.875 324 R HA 0.749 5.091 4.340 0.003 0.000 0.251 324 R C -0.466 175.774 176.300 -0.100 0.000 1.123 324 R CA -0.592 55.447 56.100 -0.102 0.000 1.064 324 R CB 1.723 31.953 30.300 -0.117 0.000 1.205 324 R HN -0.005 nan 8.270 nan 0.000 0.503 325 A N 1.257 123.994 122.820 -0.140 0.000 2.855 325 A HA 0.279 4.601 4.320 0.003 0.000 0.313 325 A C 0.740 178.208 177.584 -0.194 0.000 1.173 325 A CA -0.532 51.421 52.037 -0.141 0.000 0.753 325 A CB 0.582 19.501 19.000 -0.135 0.000 1.200 325 A HN 0.778 nan 8.150 nan 0.000 0.442 326 R N 0.746 121.147 120.500 -0.165 0.000 2.091 326 R HA -0.118 4.224 4.340 0.003 0.000 0.238 326 R C 0.256 176.408 176.300 -0.247 0.000 1.136 326 R CA 1.903 57.895 56.100 -0.181 0.000 0.959 326 R CB 0.173 30.400 30.300 -0.121 0.000 0.856 326 R HN 0.719 nan 8.270 nan 0.000 0.437 327 D N -0.208 120.059 120.400 -0.221 0.000 2.342 327 D HA 0.093 4.735 4.640 0.003 0.000 0.221 327 D C -0.029 176.103 176.300 -0.280 0.000 1.101 327 D CA 0.343 54.207 54.000 -0.226 0.000 0.837 327 D CB 0.477 41.186 40.800 -0.152 0.000 0.938 327 D HN 0.165 nan 8.370 nan 0.000 0.508 328 L N -0.352 120.651 121.223 -0.366 0.000 2.323 328 L HA 0.495 4.837 4.340 0.003 0.000 0.265 328 L C -0.834 175.709 176.870 -0.544 0.000 1.012 328 L CA -1.028 53.651 54.840 -0.268 0.000 0.820 328 L CB 1.745 43.735 42.059 -0.115 0.000 1.334 328 L HN -0.259 nan 8.230 nan 0.000 0.427 329 F N 1.817 121.680 119.950 -0.145 0.000 2.460 329 F HA 0.427 4.956 4.527 0.003 0.000 0.341 329 F C -2.179 173.306 175.800 -0.525 0.000 1.130 329 F CA -2.114 55.676 58.000 -0.350 0.000 0.962 329 F CB 1.585 40.426 39.000 -0.265 0.000 1.171 329 F HN 0.124 nan 8.300 nan 0.000 0.436 330 P HA 0.378 nan 4.420 nan 0.000 0.281 330 P C -1.218 175.705 177.300 -0.627 0.000 1.252 330 P CA -0.189 62.478 63.100 -0.722 0.000 0.778 330 P CB 1.554 32.592 31.700 -1.103 0.000 0.895 331 A N 4.439 127.022 122.820 -0.394 0.000 2.374 331 A HA 0.601 4.923 4.320 0.003 0.000 0.305 331 A C -0.733 176.747 177.584 -0.173 0.000 1.053 331 A CA -0.824 50.948 52.037 -0.440 0.000 0.726 331 A CB 0.944 19.350 19.000 -0.990 0.000 1.229 331 A HN 0.480 nan 8.150 nan 0.000 0.431 332 L N 2.358 123.568 121.223 -0.023 0.000 2.292 332 L HA 0.312 4.654 4.340 0.003 0.000 0.284 332 L C -0.409 176.581 176.870 0.201 0.000 1.065 332 L CA -0.257 54.605 54.840 0.037 0.000 0.806 332 L CB 1.166 43.187 42.059 -0.064 0.000 1.175 332 L HN 0.823 nan 8.230 nan 0.000 0.431 333 W N 6.984 128.262 121.300 -0.037 0.000 2.296 333 W HA 0.428 5.090 4.660 0.004 0.000 0.333 333 W C -1.047 175.402 176.519 -0.116 0.000 0.931 333 W CA -0.698 56.650 57.345 0.004 0.000 1.538 333 W CB 0.849 30.373 29.460 0.107 0.000 1.417 333 W HN 0.380 nan 8.180 nan 0.000 0.380 334 I N 8.232 128.654 120.570 -0.247 0.000 2.315 334 I HA 0.193 4.365 4.170 0.003 0.000 0.291 334 I C -1.731 174.262 176.117 -0.205 0.000 1.006 334 I CA -2.027 59.153 61.300 -0.201 0.000 1.265 334 I CB 1.294 39.232 38.000 -0.105 0.000 1.387 334 I HN 0.081 nan 8.210 nan 0.000 0.475 335 P HA 0.142 nan 4.420 nan 0.000 0.278 335 P C -0.194 177.078 177.300 -0.045 0.000 1.238 335 P CA -0.275 62.689 63.100 -0.226 0.000 0.794 335 P CB 1.115 32.518 31.700 -0.495 0.000 0.955 336 D N 1.316 121.749 120.400 0.056 0.000 2.149 336 D HA -0.172 4.470 4.640 0.003 0.000 0.194 336 D C 1.862 178.198 176.300 0.060 0.000 1.001 336 D CA 1.112 55.215 54.000 0.171 0.000 0.849 336 D CB -0.454 40.568 40.800 0.370 0.000 0.939 336 D HN 0.337 nan 8.370 nan 0.000 0.449 337 L N -0.170 121.162 121.223 0.182 0.000 2.089 337 L HA -0.240 4.102 4.340 0.003 0.000 0.213 337 L C 2.280 179.188 176.870 0.063 0.000 1.079 337 L CA 1.177 56.151 54.840 0.224 0.000 0.758 337 L CB -0.245 42.071 42.059 0.430 0.000 0.891 337 L HN 0.003 nan 8.230 nan 0.000 0.433 338 F N -0.107 119.647 119.950 -0.327 0.000 2.186 338 F HA -0.240 4.290 4.527 0.005 0.000 0.299 338 F C 2.397 177.797 175.800 -0.666 0.000 1.090 338 F CA 1.365 58.878 58.000 -0.812 0.000 1.307 338 F CB -0.105 38.276 39.000 -1.031 0.000 1.019 338 F HN 0.015 nan 8.300 nan 0.000 0.489 339 M N 0.273 119.354 119.600 -0.866 0.000 2.200 339 M HA -0.138 4.344 4.480 0.003 0.000 0.265 339 M C 2.020 177.910 176.300 -0.685 0.000 1.066 339 M CA 1.347 55.893 55.300 -1.256 0.000 1.127 339 M CB -1.137 30.020 32.600 -2.404 0.000 1.379 339 M HN 0.130 nan 8.290 nan 0.000 0.420 340 K N -0.239 119.922 120.400 -0.399 0.000 2.009 340 K HA -0.138 4.183 4.320 0.003 0.000 0.210 340 K C 2.122 178.651 176.600 -0.119 0.000 1.049 340 K CA 1.034 57.278 56.287 -0.071 0.000 0.929 340 K CB -0.221 32.324 32.500 0.075 0.000 0.714 340 K HN 0.198 nan 8.250 nan 0.000 0.440 341 R N 0.798 121.207 120.500 -0.152 0.000 2.096 341 R HA -0.079 4.263 4.340 0.003 0.000 0.235 341 R C 2.360 178.532 176.300 -0.213 0.000 1.127 341 R CA 0.871 56.922 56.100 -0.081 0.000 0.968 341 R CB -0.986 29.376 30.300 0.103 0.000 0.861 341 R HN 0.090 nan 8.270 nan 0.000 0.440 342 V N 1.056 120.681 119.914 -0.482 0.000 2.343 342 V HA -0.220 3.902 4.120 0.003 0.000 0.247 342 V C 2.428 178.293 176.094 -0.381 0.000 1.051 342 V CA 1.962 63.947 62.300 -0.526 0.000 1.036 342 V CB -0.461 30.777 31.823 -0.974 0.000 0.654 342 V HN 0.377 nan 8.190 nan 0.000 0.451 343 E N 0.204 120.196 120.200 -0.346 0.000 2.106 343 E HA -0.232 4.119 4.350 0.003 0.000 0.192 343 E C 2.004 178.481 176.600 -0.205 0.000 0.984 343 E CA 1.308 57.481 56.400 -0.379 0.000 0.806 343 E CB -0.039 29.506 29.700 -0.258 0.000 0.750 343 E HN 0.692 nan 8.360 nan 0.000 0.458 344 E N 0.334 120.459 120.200 -0.124 0.000 2.511 344 E HA -0.041 4.311 4.350 0.003 0.000 0.196 344 E C -0.023 176.548 176.600 -0.048 0.000 1.066 344 E CA 0.005 56.368 56.400 -0.060 0.000 0.871 344 E CB -0.242 29.448 29.700 -0.016 0.000 0.863 344 E HN 0.317 nan 8.360 nan 0.000 0.520 345 N N 0.150 118.806 118.700 -0.074 0.000 2.716 345 N HA -0.186 4.556 4.740 0.003 0.000 0.250 345 N C 0.159 175.678 175.510 0.016 0.000 1.033 345 N CA -0.078 52.954 53.050 -0.030 0.000 0.727 345 N CB -0.529 37.948 38.487 -0.018 0.000 0.950 345 N HN 0.290 nan 8.380 nan 0.000 0.541 346 G N -0.688 108.129 108.800 0.029 0.000 2.695 346 G HA2 0.545 4.506 3.960 0.003 0.000 0.213 346 G HA3 0.545 4.506 3.960 0.003 0.000 0.213 346 G C 0.025 175.008 174.900 0.139 0.000 1.406 346 G CA 0.327 45.475 45.100 0.080 0.000 1.049 346 G HN 0.347 nan 8.290 nan 0.000 0.573 347 T N -2.904 111.763 114.554 0.188 0.000 2.943 347 T HA 0.541 4.892 4.350 0.003 0.000 0.284 347 T C -0.984 173.982 174.700 0.444 0.000 1.015 347 T CA -0.715 61.538 62.100 0.255 0.000 1.042 347 T CB 2.075 71.052 68.868 0.180 0.000 1.055 347 T HN 0.557 nan 8.240 nan 0.000 0.500 348 W N 1.385 122.819 121.300 0.223 0.000 2.957 348 W HA 0.428 5.088 4.660 0.001 0.000 0.336 348 W C -1.548 175.127 176.519 0.260 0.000 1.087 348 W CA -0.823 56.718 57.345 0.326 0.000 1.235 348 W CB 2.413 32.131 29.460 0.430 0.000 1.399 348 W HN 0.723 nan 8.180 nan 0.000 0.480 349 T N 6.341 120.655 114.554 -0.400 0.000 2.779 349 T HA 0.452 4.804 4.350 0.003 0.000 0.280 349 T C -0.104 174.106 174.700 -0.816 0.000 0.987 349 T CA -0.473 61.282 62.100 -0.575 0.000 0.966 349 T CB 1.138 69.588 68.868 -0.697 0.000 0.933 349 T HN 0.211 nan 8.240 nan 0.000 0.442 350 L N 4.338 125.228 121.223 -0.554 0.000 2.264 350 L HA 0.572 4.914 4.340 0.003 0.000 0.289 350 L C -0.802 175.784 176.870 -0.474 0.000 1.044 350 L CA -0.634 54.034 54.840 -0.287 0.000 0.807 350 L CB 0.375 42.444 42.059 0.017 0.000 1.192 350 L HN 0.561 nan 8.230 nan 0.000 0.425 351 F N 0.441 120.438 119.950 0.077 0.000 2.538 351 F HA 0.402 4.931 4.527 0.003 0.000 0.325 351 F C 0.642 176.443 175.800 0.001 0.000 1.066 351 F CA -0.727 57.253 58.000 -0.033 0.000 0.946 351 F CB 2.021 40.904 39.000 -0.194 0.000 1.199 351 F HN 0.335 nan 8.300 nan 0.000 0.473 352 S N 2.231 118.007 115.700 0.126 0.000 2.565 352 S HA 0.288 4.760 4.470 0.003 0.000 0.274 352 S C -1.657 172.995 174.600 0.088 0.000 1.309 352 S CA -1.506 56.706 58.200 0.021 0.000 1.043 352 S CB 1.037 64.245 63.200 0.012 0.000 0.939 352 S HN 0.355 nan 8.310 nan 0.000 0.504 353 P HA -0.084 nan 4.420 nan 0.000 0.221 353 P C 1.339 178.654 177.300 0.026 0.000 1.145 353 P CA 1.345 64.546 63.100 0.168 0.000 0.795 353 P CB -0.462 31.424 31.700 0.310 0.000 0.775 354 T N -3.469 111.101 114.554 0.026 0.000 3.014 354 T HA -0.026 4.326 4.350 0.003 0.000 0.263 354 T C 1.711 176.367 174.700 -0.072 0.000 1.078 354 T CA 1.132 63.233 62.100 0.002 0.000 1.135 354 T CB -0.943 67.954 68.868 0.049 0.000 0.895 354 T HN 0.201 nan 8.240 nan 0.000 0.480 355 S N 0.694 116.332 115.700 -0.104 0.000 2.556 355 S HA 0.663 5.135 4.470 0.003 0.000 0.216 355 S C 0.840 175.174 174.600 -0.443 0.000 0.970 355 S CA -0.227 57.866 58.200 -0.178 0.000 0.912 355 S CB 0.103 63.252 63.200 -0.084 0.000 0.790 355 S HN 0.756 nan 8.310 nan 0.000 0.504 356 A N 2.224 124.695 122.820 -0.582 0.000 3.422 356 A HA 0.543 4.865 4.320 0.003 0.000 0.271 356 A C -3.138 174.046 177.584 -0.667 0.000 1.104 356 A CA -1.054 50.243 52.037 -1.233 0.000 0.899 356 A CB 0.520 18.626 19.000 -1.490 0.000 1.309 356 A HN 0.319 nan 8.150 nan 0.000 0.580 357 P HA 0.438 nan 4.420 nan 0.000 0.275 357 P C 0.972 178.310 177.300 0.063 0.000 1.228 357 P CA 1.555 64.611 63.100 -0.073 0.000 0.786 357 P CB 1.321 33.005 31.700 -0.028 0.000 0.927 358 G N 1.047 109.898 108.800 0.085 0.000 2.176 358 G HA2 -0.244 3.718 3.960 0.003 0.000 0.232 358 G HA3 -0.244 3.718 3.960 0.003 0.000 0.232 358 G C 0.629 175.609 174.900 0.134 0.000 0.986 358 G CA -0.004 45.164 45.100 0.112 0.000 0.643 358 G HN 0.433 nan 8.290 nan 0.000 0.522 359 L N 2.107 123.392 121.223 0.105 0.000 2.093 359 L HA 0.099 4.440 4.340 0.003 0.000 0.208 359 L C 2.978 180.088 176.870 0.399 0.000 1.085 359 L CA 2.937 57.881 54.840 0.174 0.000 0.755 359 L CB -0.830 41.061 42.059 -0.280 0.000 0.904 359 L HN 0.731 nan 8.230 nan 0.000 0.435 360 S N -2.430 113.518 115.700 0.413 0.000 2.562 360 S HA -0.073 4.399 4.470 0.003 0.000 0.221 360 S C 1.299 176.045 174.600 0.244 0.000 0.975 360 S CA 0.597 58.989 58.200 0.320 0.000 0.918 360 S CB -0.231 63.135 63.200 0.276 0.000 0.772 360 S HN 0.379 nan 8.310 nan 0.000 0.531 361 D N 1.099 121.641 120.400 0.238 0.000 2.525 361 D HA 0.269 4.911 4.640 0.003 0.000 0.229 361 D C 0.046 176.471 176.300 0.209 0.000 1.202 361 D CA -0.208 53.918 54.000 0.210 0.000 0.828 361 D CB 0.323 41.231 40.800 0.179 0.000 1.008 361 D HN 0.633 nan 8.370 nan 0.000 0.493 362 C N -1.225 118.225 119.300 0.249 0.000 3.321 362 C HA 0.894 5.356 4.460 0.003 0.000 0.329 362 C C -1.042 174.143 174.990 0.325 0.000 1.394 362 C CA -1.264 57.900 59.018 0.244 0.000 1.291 362 C CB 0.501 28.323 27.740 0.136 0.000 1.606 362 C HN 0.233 nan 8.230 nan 0.000 0.463 363 Y N -0.658 119.710 120.300 0.113 0.000 2.728 363 Y HA 0.867 5.418 4.550 0.003 0.000 0.330 363 Y C 0.610 176.572 175.900 0.102 0.000 1.234 363 Y CA -0.079 58.046 58.100 0.042 0.000 1.070 363 Y CB 0.446 38.878 38.460 -0.045 0.000 1.300 363 Y HN 2.349 nan 8.280 nan 0.000 0.467 364 G N 1.087 109.976 108.800 0.148 0.000 2.582 364 G HA2 -0.345 3.617 3.960 0.003 0.000 0.288 364 G HA3 -0.345 3.617 3.960 0.003 0.000 0.288 364 G C 0.184 175.131 174.900 0.079 0.000 1.247 364 G CA 0.857 45.994 45.100 0.062 0.000 0.972 364 G HN 0.827 nan 8.290 nan 0.000 0.557 365 D N 0.373 120.762 120.400 -0.018 0.000 2.178 365 D HA -0.030 4.612 4.640 0.003 0.000 0.202 365 D C 2.087 178.368 176.300 -0.032 0.000 0.974 365 D CA 1.386 55.380 54.000 -0.010 0.000 0.841 365 D CB -0.226 40.550 40.800 -0.040 0.000 0.953 365 D HN 0.652 nan 8.370 nan 0.000 0.478 366 E N -0.297 119.858 120.200 -0.075 0.000 2.106 366 E HA -0.167 4.185 4.350 0.003 0.000 0.192 366 E C 1.929 178.513 176.600 -0.027 0.000 0.984 366 E CA 0.426 56.780 56.400 -0.077 0.000 0.806 366 E CB -0.114 29.515 29.700 -0.117 0.000 0.750 366 E HN 0.269 nan 8.360 nan 0.000 0.458 367 F N 1.705 121.608 119.950 -0.079 0.000 2.113 367 F HA -0.111 4.418 4.527 0.003 0.000 0.297 367 F C 1.962 177.769 175.800 0.011 0.000 1.103 367 F CA 1.491 59.481 58.000 -0.016 0.000 1.248 367 F CB 0.023 39.054 39.000 0.052 0.000 0.999 367 F HN -0.036 nan 8.300 nan 0.000 0.475 368 E N 0.499 120.648 120.200 -0.085 0.000 2.106 368 E HA -0.174 4.178 4.350 0.003 0.000 0.192 368 E C 2.367 178.863 176.600 -0.173 0.000 0.984 368 E CA 0.903 57.208 56.400 -0.157 0.000 0.806 368 E CB -0.379 29.358 29.700 0.061 0.000 0.750 368 E HN 0.548 nan 8.360 nan 0.000 0.458 369 A N 1.162 123.891 122.820 -0.150 0.000 1.930 369 A HA -0.142 4.180 4.320 0.003 0.000 0.217 369 A C 2.131 179.550 177.584 -0.274 0.000 1.175 369 A CA 0.905 52.844 52.037 -0.164 0.000 0.627 369 A CB -0.350 18.572 19.000 -0.131 0.000 0.815 369 A HN 0.188 nan 8.150 nan 0.000 0.443 370 L N -2.032 118.970 121.223 -0.368 0.000 2.068 370 L HA -0.006 4.336 4.340 0.003 0.000 0.204 370 L C 2.253 178.664 176.870 -0.764 0.000 1.076 370 L CA 1.972 56.456 54.840 -0.595 0.000 0.753 370 L CB -0.911 40.833 42.059 -0.525 0.000 0.910 370 L HN 0.497 nan 8.230 nan 0.000 0.439 371 Y N 0.224 120.057 120.300 -0.779 0.000 2.081 371 Y HA -0.342 4.209 4.550 0.002 0.000 0.280 371 Y C 2.460 178.144 175.900 -0.360 0.000 1.163 371 Y CA 2.702 60.395 58.100 -0.678 0.000 1.135 371 Y CB -0.646 37.232 38.460 -0.970 0.000 0.970 371 Y HN 0.201 nan 8.280 nan 0.000 0.498 372 T N 0.572 115.060 114.554 -0.110 0.000 2.788 372 T HA -0.199 4.153 4.350 0.003 0.000 0.268 372 T C 1.953 176.577 174.700 -0.127 0.000 1.044 372 T CA 1.546 63.620 62.100 -0.043 0.000 1.139 372 T CB -0.301 68.565 68.868 -0.003 0.000 0.867 372 T HN 0.310 nan 8.240 nan 0.000 0.454 373 R N -0.289 120.079 120.500 -0.220 0.000 2.073 373 R HA -0.077 4.265 4.340 0.003 0.000 0.234 373 R C 2.212 178.433 176.300 -0.131 0.000 1.134 373 R CA 1.464 57.441 56.100 -0.205 0.000 0.952 373 R CB -0.383 29.738 30.300 -0.297 0.000 0.850 373 R HN 0.546 nan 8.270 nan 0.000 0.433 374 Y N 0.302 120.424 120.300 -0.295 0.000 2.128 374 Y HA -0.279 4.273 4.550 0.003 0.000 0.284 374 Y C 2.550 178.388 175.900 -0.102 0.000 1.154 374 Y CA 1.130 59.031 58.100 -0.331 0.000 1.149 374 Y CB -0.116 37.848 38.460 -0.827 0.000 0.976 374 Y HN 0.315 nan 8.280 nan 0.000 0.505 375 E N 0.667 120.905 120.200 0.062 0.000 2.070 375 E HA -0.260 4.092 4.350 0.003 0.000 0.197 375 E C 1.969 178.572 176.600 0.004 0.000 1.004 375 E CA 1.564 57.977 56.400 0.021 0.000 0.805 375 E CB -0.038 29.607 29.700 -0.091 0.000 0.744 375 E HN 0.430 nan 8.360 nan 0.000 0.451 376 K N 0.105 120.501 120.400 -0.007 0.000 2.217 376 K HA -0.086 4.236 4.320 0.003 0.000 0.202 376 K C 1.642 178.242 176.600 -0.001 0.000 1.051 376 K CA 0.784 57.066 56.287 -0.007 0.000 0.952 376 K CB 0.064 32.554 32.500 -0.017 0.000 0.736 376 K HN 0.152 nan 8.250 nan 0.000 0.453 377 E N 0.080 120.288 120.200 0.013 0.000 2.511 377 E HA -0.018 4.334 4.350 0.003 0.000 0.196 377 E C 0.537 177.143 176.600 0.010 0.000 1.066 377 E CA 0.189 56.597 56.400 0.015 0.000 0.871 377 E CB 0.115 29.836 29.700 0.035 0.000 0.863 377 E HN 0.447 nan 8.360 nan 0.000 0.520 378 G N 2.002 110.808 108.800 0.010 0.000 2.198 378 G HA2 -0.359 3.603 3.960 0.003 0.000 0.260 378 G HA3 -0.359 3.603 3.960 0.003 0.000 0.260 378 G C 0.724 175.623 174.900 -0.002 0.000 1.025 378 G CA 0.435 45.531 45.100 -0.007 0.000 0.769 378 G HN 0.301 nan 8.290 nan 0.000 0.507 379 R N -0.349 120.181 120.500 0.050 0.000 2.276 379 R HA 0.318 4.660 4.340 0.003 0.000 0.196 379 R C 1.687 178.035 176.300 0.079 0.000 0.961 379 R CA 0.804 56.941 56.100 0.062 0.000 1.024 379 R CB 0.335 30.645 30.300 0.016 0.000 0.940 379 R HN 0.490 nan 8.270 nan 0.000 0.480 380 G N -0.055 108.691 108.800 -0.090 0.000 3.222 380 G HA2 0.277 4.239 3.960 0.003 0.000 0.263 380 G HA3 0.277 4.239 3.960 0.003 0.000 0.263 380 G C -1.320 173.409 174.900 -0.285 0.000 1.312 380 G CA -0.454 44.414 45.100 -0.387 0.000 0.934 380 G HN -0.148 nan 8.290 nan 0.000 0.577 381 K N 1.073 121.287 120.400 -0.310 0.000 2.507 381 K HA 0.394 4.716 4.320 0.003 0.000 0.253 381 K C -0.600 175.910 176.600 -0.149 0.000 0.969 381 K CA -0.213 55.981 56.287 -0.155 0.000 0.908 381 K CB 0.944 33.397 32.500 -0.079 0.000 1.127 381 K HN 0.432 nan 8.250 nan 0.000 0.437 382 T N 4.515 119.005 114.554 -0.106 0.000 2.907 382 T HA 0.354 4.706 4.350 0.003 0.000 0.298 382 T C 0.291 175.022 174.700 0.051 0.000 1.017 382 T CA -0.032 62.042 62.100 -0.043 0.000 1.118 382 T CB 0.667 69.519 68.868 -0.026 0.000 0.948 382 T HN 0.574 nan 8.240 nan 0.000 0.531 383 I N 0.856 121.509 120.570 0.138 0.000 3.279 383 I HA 0.425 4.597 4.170 0.003 0.000 0.315 383 I C -0.846 175.421 176.117 0.250 0.000 1.187 383 I CA -1.254 60.167 61.300 0.202 0.000 0.953 383 I CB 2.066 40.237 38.000 0.285 0.000 1.279 383 I HN 0.353 nan 8.210 nan 0.000 0.465 384 K N 2.266 122.812 120.400 0.243 0.000 2.349 384 K HA 0.326 4.648 4.320 0.003 0.000 0.288 384 K C 0.752 177.546 176.600 0.323 0.000 1.058 384 K CA 0.430 56.860 56.287 0.238 0.000 0.953 384 K CB 1.335 33.940 32.500 0.176 0.000 0.997 384 K HN 0.683 nan 8.250 nan 0.000 0.477 385 A N 3.954 126.963 122.820 0.314 0.000 1.896 385 A HA -0.296 4.026 4.320 0.003 0.000 0.220 385 A C 1.850 179.575 177.584 0.236 0.000 1.206 385 A CA 1.731 53.935 52.037 0.279 0.000 0.647 385 A CB -0.397 18.633 19.000 0.049 0.000 0.828 385 A HN 0.878 nan 8.150 nan 0.000 0.455 386 Q N -1.185 118.731 119.800 0.193 0.000 2.364 386 Q HA -0.121 4.221 4.340 0.003 0.000 0.207 386 Q C 2.065 178.295 176.000 0.384 0.000 0.970 386 Q CA 1.226 57.194 55.803 0.274 0.000 0.888 386 Q CB -0.092 28.763 28.738 0.195 0.000 0.951 386 Q HN 0.767 nan 8.270 nan 0.000 0.469 387 K N 0.892 121.508 120.400 0.360 0.000 2.057 387 K HA -0.135 4.187 4.320 0.003 0.000 0.207 387 K C 1.911 178.858 176.600 0.578 0.000 1.049 387 K CA 0.766 57.306 56.287 0.421 0.000 0.931 387 K CB -0.006 32.716 32.500 0.371 0.000 0.714 387 K HN 0.215 nan 8.250 nan 0.000 0.440 388 L N 0.284 121.827 121.223 0.533 0.000 2.027 388 L HA -0.184 4.158 4.340 0.003 0.000 0.206 388 L C 2.308 179.381 176.870 0.338 0.000 1.074 388 L CA 1.232 56.231 54.840 0.266 0.000 0.745 388 L CB -0.472 41.726 42.059 0.232 0.000 0.898 388 L HN 0.547 nan 8.230 nan 0.000 0.433 389 W N -0.163 121.278 121.300 0.234 0.000 2.301 389 W HA -0.384 4.278 4.660 0.004 0.000 0.325 389 W C 2.543 179.161 176.519 0.166 0.000 1.250 389 W CA 2.104 59.544 57.345 0.158 0.000 1.261 389 W CB -0.773 28.730 29.460 0.071 0.000 1.157 389 W HN 0.236 nan 8.180 nan 0.000 0.473 390 Y N 1.642 122.053 120.300 0.186 0.000 2.139 390 Y HA -0.345 4.207 4.550 0.003 0.000 0.282 390 Y C 2.865 178.782 175.900 0.028 0.000 1.179 390 Y CA 3.033 61.176 58.100 0.072 0.000 1.161 390 Y CB -0.768 37.786 38.460 0.156 0.000 0.970 390 Y HN -0.171 nan 8.280 nan 0.000 0.511 391 S N 0.064 115.915 115.700 0.253 0.000 2.368 391 S HA -0.171 4.301 4.470 0.003 0.000 0.225 391 S C 1.889 176.470 174.600 -0.033 0.000 1.030 391 S CA 1.296 59.601 58.200 0.176 0.000 0.999 391 S CB -0.377 63.032 63.200 0.349 0.000 0.844 391 S HN 0.364 nan 8.310 nan 0.000 0.459 392 I N 2.170 122.670 120.570 -0.116 0.000 2.091 392 I HA -0.194 3.977 4.170 0.003 0.000 0.239 392 I C 2.231 178.171 176.117 -0.295 0.000 1.061 392 I CA 1.504 62.670 61.300 -0.223 0.000 1.317 392 I CB -1.722 36.100 38.000 -0.297 0.000 1.031 392 I HN 0.283 nan 8.210 nan 0.000 0.401 393 L N 0.121 121.075 121.223 -0.449 0.000 2.127 393 L HA -0.216 4.126 4.340 0.003 0.000 0.211 393 L C 2.565 179.262 176.870 -0.288 0.000 1.089 393 L CA 1.465 56.062 54.840 -0.406 0.000 0.757 393 L CB -0.659 41.081 42.059 -0.532 0.000 0.899 393 L HN 0.362 nan 8.230 nan 0.000 0.434 394 E N 0.569 120.590 120.200 -0.297 0.000 2.072 394 E HA -0.212 4.140 4.350 0.003 0.000 0.191 394 E C 2.287 178.835 176.600 -0.086 0.000 0.985 394 E CA 1.092 57.377 56.400 -0.191 0.000 0.801 394 E CB 0.011 29.632 29.700 -0.131 0.000 0.750 394 E HN 0.434 nan 8.360 nan 0.000 0.452 395 A N 0.825 123.598 122.820 -0.078 0.000 1.902 395 A HA -0.245 4.077 4.320 0.003 0.000 0.217 395 A C 2.090 179.636 177.584 -0.065 0.000 1.181 395 A CA 1.663 53.664 52.037 -0.060 0.000 0.623 395 A CB -0.530 18.418 19.000 -0.088 0.000 0.818 395 A HN 0.335 nan 8.150 nan 0.000 0.443 396 Q N -1.000 118.749 119.800 -0.085 0.000 2.046 396 Q HA -0.124 4.218 4.340 0.003 0.000 0.200 396 Q C 2.232 178.219 176.000 -0.021 0.000 0.975 396 Q CA 1.894 57.670 55.803 -0.045 0.000 0.836 396 Q CB -0.493 28.224 28.738 -0.035 0.000 0.896 396 Q HN 0.651 nan 8.270 nan 0.000 0.428 397 T N 1.281 115.806 114.554 -0.047 0.000 2.699 397 T HA -0.195 4.157 4.350 0.003 0.000 0.268 397 T C 1.518 176.212 174.700 -0.011 0.000 1.036 397 T CA 1.605 63.685 62.100 -0.032 0.000 1.147 397 T CB -0.154 68.676 68.868 -0.062 0.000 0.862 397 T HN 0.343 nan 8.240 nan 0.000 0.446 398 E N 0.123 120.316 120.200 -0.011 0.000 2.122 398 E HA -0.035 4.317 4.350 0.003 0.000 0.190 398 E C 2.412 179.025 176.600 0.022 0.000 0.977 398 E CA 1.455 57.859 56.400 0.007 0.000 0.820 398 E CB 0.082 29.800 29.700 0.029 0.000 0.770 398 E HN 0.643 nan 8.360 nan 0.000 0.462 399 T N -4.262 110.304 114.554 0.020 0.000 2.955 399 T HA 0.313 4.664 4.350 0.003 0.000 0.251 399 T C 1.574 176.328 174.700 0.091 0.000 1.002 399 T CA 0.469 62.588 62.100 0.032 0.000 0.970 399 T CB 1.028 69.885 68.868 -0.018 0.000 1.091 399 T HN 0.235 nan 8.240 nan 0.000 0.495 400 G N 1.644 110.497 108.800 0.088 0.000 2.176 400 G HA2 -0.218 3.744 3.960 0.003 0.000 0.253 400 G HA3 -0.218 3.744 3.960 0.003 0.000 0.253 400 G C 0.298 175.299 174.900 0.169 0.000 0.979 400 G CA 0.700 45.904 45.100 0.173 0.000 0.641 400 G HN 1.297 nan 8.290 nan 0.000 0.530 401 T N -1.764 112.808 114.554 0.030 0.000 2.907 401 T HA 0.796 5.148 4.350 0.003 0.000 0.290 401 T C -3.098 171.499 174.700 -0.172 0.000 1.066 401 T CA -1.559 60.452 62.100 -0.148 0.000 1.012 401 T CB 3.530 72.195 68.868 -0.338 0.000 1.184 401 T HN 0.103 nan 8.240 nan 0.000 0.522 402 P HA 0.255 nan 4.420 nan 0.000 0.274 402 P C -0.259 176.938 177.300 -0.172 0.000 1.231 402 P CA -0.585 62.317 63.100 -0.330 0.000 0.790 402 P CB 0.311 31.869 31.700 -0.236 0.000 0.951 403 F N -0.171 119.700 119.950 -0.131 0.000 2.586 403 F HA 0.151 4.680 4.527 0.003 0.000 0.344 403 F C 1.018 176.770 175.800 -0.080 0.000 1.188 403 F CA -0.486 57.460 58.000 -0.089 0.000 1.359 403 F CB 0.129 39.094 39.000 -0.058 0.000 1.129 403 F HN -0.030 nan 8.300 nan 0.000 0.609 404 V N 2.895 122.888 119.914 0.132 0.000 2.443 404 V HA 0.380 4.502 4.120 0.003 0.000 0.293 404 V C -0.646 175.346 176.094 -0.170 0.000 1.021 404 V CA -0.632 61.616 62.300 -0.087 0.000 0.848 404 V CB 1.648 33.358 31.823 -0.187 0.000 0.998 404 V HN 0.503 nan 8.190 nan 0.000 0.424 405 V N 5.229 125.058 119.914 -0.143 0.000 2.483 405 V HA 0.427 4.549 4.120 0.003 0.000 0.297 405 V C -0.961 174.896 176.094 -0.394 0.000 1.027 405 V CA -0.925 61.312 62.300 -0.105 0.000 0.855 405 V CB 1.731 33.785 31.823 0.386 0.000 0.995 405 V HN 0.756 nan 8.190 nan 0.000 0.424 406 Y N 3.672 123.886 120.300 -0.143 0.000 2.584 406 Y HA 0.149 4.701 4.550 0.003 0.000 0.351 406 Y C 1.615 177.139 175.900 -0.627 0.000 1.030 406 Y CA 0.016 57.944 58.100 -0.287 0.000 1.332 406 Y CB 0.570 38.995 38.460 -0.059 0.000 1.148 406 Y HN 0.698 nan 8.280 nan 0.000 0.528 407 K N 1.858 121.693 120.400 -0.941 0.000 2.052 407 K HA -0.301 4.021 4.320 0.003 0.000 0.215 407 K C 0.826 177.047 176.600 -0.633 0.000 1.053 407 K CA 2.471 57.945 56.287 -1.355 0.000 0.934 407 K CB 0.069 31.829 32.500 -1.234 0.000 0.717 407 K HN 0.711 nan 8.250 nan 0.000 0.450 408 D N 0.021 120.221 120.400 -0.332 0.000 2.084 408 D HA -0.110 4.532 4.640 0.003 0.000 0.196 408 D C 1.932 178.116 176.300 -0.192 0.000 0.985 408 D CA 1.393 55.302 54.000 -0.150 0.000 0.826 408 D CB -0.453 40.348 40.800 0.001 0.000 0.978 408 D HN 0.396 nan 8.370 nan 0.000 0.456 409 A N 0.748 123.464 122.820 -0.173 0.000 1.917 409 A HA -0.243 4.079 4.320 0.003 0.000 0.219 409 A C 2.581 180.027 177.584 -0.229 0.000 1.182 409 A CA 1.648 53.549 52.037 -0.226 0.000 0.633 409 A CB -1.091 17.805 19.000 -0.174 0.000 0.819 409 A HN 0.358 nan 8.150 nan 0.000 0.448 410 C N -0.665 118.501 119.300 -0.223 0.000 2.446 410 C HA -0.068 4.394 4.460 0.003 0.000 0.277 410 C C 2.726 177.602 174.990 -0.190 0.000 1.275 410 C CA 1.104 60.033 59.018 -0.148 0.000 1.727 410 C CB -1.416 26.276 27.740 -0.081 0.000 2.010 410 C HN 0.650 nan 8.230 nan 0.000 0.486 411 N N 0.089 118.574 118.700 -0.358 0.000 2.207 411 N HA -0.059 4.683 4.740 0.003 0.000 0.182 411 N C 2.031 177.238 175.510 -0.505 0.000 1.020 411 N CA 0.729 53.436 53.050 -0.572 0.000 0.858 411 N CB -0.388 37.352 38.487 -1.244 0.000 0.991 411 N HN 0.522 nan 8.380 nan 0.000 0.427 412 R N 1.367 121.642 120.500 -0.375 0.000 2.092 412 R HA 0.010 4.352 4.340 0.003 0.000 0.231 412 R C 0.405 176.620 176.300 -0.140 0.000 1.119 412 R CA 1.130 57.156 56.100 -0.123 0.000 0.970 412 R CB 0.180 30.442 30.300 -0.064 0.000 0.864 412 R HN 0.075 nan 8.270 nan 0.000 0.440 413 K N 0.109 120.396 120.400 -0.189 0.000 2.965 413 K HA 0.131 4.453 4.320 0.003 0.000 0.216 413 K C -0.686 175.869 176.600 -0.074 0.000 1.164 413 K CA -0.169 56.026 56.287 -0.154 0.000 1.153 413 K CB 1.240 33.575 32.500 -0.275 0.000 1.045 413 K HN -0.099 nan 8.250 nan 0.000 0.460 414 S N 0.362 116.015 115.700 -0.077 0.000 2.482 414 S HA 0.157 4.629 4.470 0.003 0.000 0.303 414 S C 0.541 175.123 174.600 -0.030 0.000 1.091 414 S CA -0.705 57.469 58.200 -0.043 0.000 1.057 414 S CB 1.187 64.355 63.200 -0.053 0.000 1.031 414 S HN 0.335 nan 8.310 nan 0.000 0.485 415 N N 3.152 121.850 118.700 -0.003 0.000 2.520 415 N HA -0.021 4.721 4.740 0.003 0.000 0.185 415 N C 1.224 176.739 175.510 0.008 0.000 1.068 415 N CA 1.157 54.217 53.050 0.016 0.000 0.911 415 N CB 0.068 38.593 38.487 0.063 0.000 0.961 415 N HN 0.675 nan 8.380 nan 0.000 0.446 416 Q N -0.508 119.276 119.800 -0.027 0.000 2.280 416 Q HA 0.012 4.354 4.340 0.003 0.000 0.202 416 Q C 1.190 177.135 176.000 -0.091 0.000 0.903 416 Q CA -0.022 55.740 55.803 -0.068 0.000 0.948 416 Q CB 0.281 28.963 28.738 -0.093 0.000 1.058 416 Q HN 0.547 nan 8.270 nan 0.000 0.493 417 K N 0.691 121.053 120.400 -0.063 0.000 2.280 417 K HA -0.132 4.190 4.320 0.003 0.000 0.202 417 K C 1.281 177.847 176.600 -0.058 0.000 1.047 417 K CA 1.482 57.736 56.287 -0.056 0.000 0.942 417 K CB -0.103 32.379 32.500 -0.030 0.000 0.739 417 K HN 0.105 nan 8.250 nan 0.000 0.457 418 N N 1.713 120.371 118.700 -0.071 0.000 2.550 418 N HA -0.127 4.615 4.740 0.003 0.000 0.186 418 N C 1.419 176.847 175.510 -0.136 0.000 1.110 418 N CA 0.753 53.757 53.050 -0.078 0.000 0.912 418 N CB -0.217 38.232 38.487 -0.062 0.000 0.968 418 N HN 0.356 nan 8.380 nan 0.000 0.448 419 L N -0.991 120.084 121.223 -0.246 0.000 2.270 419 L HA 0.269 4.611 4.340 0.003 0.000 0.210 419 L C 1.318 177.774 176.870 -0.690 0.000 1.104 419 L CA 0.586 55.129 54.840 -0.495 0.000 0.804 419 L CB -0.461 41.159 42.059 -0.733 0.000 0.937 419 L HN 0.422 nan 8.230 nan 0.000 0.450 420 G N -0.797 107.749 108.800 -0.424 0.000 2.347 420 G HA2 -0.024 3.938 3.960 0.003 0.000 0.341 420 G HA3 -0.024 3.938 3.960 0.003 0.000 0.341 420 G C -1.274 173.664 174.900 0.063 0.000 1.287 420 G CA -0.872 44.122 45.100 -0.177 0.000 0.984 420 G HN -0.276 nan 8.290 nan 0.000 0.526 421 V N 1.001 121.068 119.914 0.255 0.000 2.455 421 V HA 0.367 4.489 4.120 0.003 0.000 0.273 421 V C 1.039 177.295 176.094 0.269 0.000 1.045 421 V CA -0.199 62.247 62.300 0.244 0.000 0.976 421 V CB 0.911 32.899 31.823 0.275 0.000 0.993 421 V HN 0.559 nan 8.190 nan 0.000 0.475 422 I N 5.845 126.527 120.570 0.188 0.000 2.533 422 I HA 0.145 4.316 4.170 0.003 0.000 0.284 422 I C 1.245 177.413 176.117 0.085 0.000 1.109 422 I CA 0.252 61.627 61.300 0.125 0.000 1.412 422 I CB 0.584 38.660 38.000 0.126 0.000 1.396 422 I HN 0.648 nan 8.210 nan 0.000 0.543 423 K N 4.277 124.479 120.400 -0.329 0.000 2.358 423 K HA 0.161 4.483 4.320 0.003 0.000 0.197 423 K C 0.080 175.831 176.600 -1.416 0.000 1.025 423 K CA 0.085 55.988 56.287 -0.640 0.000 1.104 423 K CB 0.365 32.293 32.500 -0.953 0.000 0.855 423 K HN 0.777 nan 8.250 nan 0.000 0.531 424 S N -1.623 113.150 115.700 -1.546 0.000 2.611 424 S HA 0.338 4.810 4.470 0.003 0.000 0.268 424 S C -0.576 173.126 174.600 -1.496 0.000 1.156 424 S CA -0.881 56.179 58.200 -1.899 0.000 0.817 424 S CB 1.828 64.420 63.200 -1.014 0.000 1.122 424 S HN -0.041 nan 8.310 nan 0.000 0.466 425 S N 0.503 115.211 115.700 -1.653 0.000 2.505 425 S HA 0.667 5.139 4.470 0.003 0.000 0.273 425 S C -0.189 173.994 174.600 -0.695 0.000 1.123 425 S CA -0.283 57.458 58.200 -0.766 0.000 1.006 425 S CB 0.126 63.199 63.200 -0.211 0.000 1.243 425 S HN 1.016 nan 8.310 nan 0.000 0.498 426 N N -0.068 118.520 118.700 -0.186 0.000 3.100 426 N HA 0.206 4.948 4.740 0.003 0.000 0.344 426 N C 0.766 176.407 175.510 0.218 0.000 1.413 426 N CA -0.620 52.436 53.050 0.010 0.000 0.752 426 N CB -0.338 38.131 38.487 -0.029 0.000 1.519 426 N HN 0.454 nan 8.380 nan 0.000 0.620 427 L N 0.332 121.654 121.223 0.165 0.000 2.043 427 L HA -0.049 4.293 4.340 0.003 0.000 0.212 427 L C 1.414 178.284 176.870 0.001 0.000 1.075 427 L CA 1.919 56.860 54.840 0.169 0.000 0.752 427 L CB -0.563 41.593 42.059 0.160 0.000 0.891 427 L HN 0.743 nan 8.230 nan 0.000 0.432 428 C N -2.261 116.925 119.300 -0.189 0.000 3.000 428 C HA 0.328 4.790 4.460 0.003 0.000 0.286 428 C C 1.236 175.714 174.990 -0.853 0.000 1.343 428 C CA -0.360 58.247 59.018 -0.685 0.000 1.742 428 C CB -1.753 25.678 27.740 -0.516 0.000 2.200 428 C HN 0.720 nan 8.230 nan 0.000 0.621 429 C N 2.452 121.538 119.300 -0.356 0.000 4.507 429 C HA -0.132 4.330 4.460 0.003 0.000 0.285 429 C C 1.978 176.882 174.990 -0.144 0.000 1.335 429 C CA 1.425 60.328 59.018 -0.192 0.000 1.953 429 C CB -2.627 24.949 27.740 -0.273 0.000 1.262 429 C HN 0.815 nan 8.230 nan 0.000 0.776 430 E N -0.023 120.104 120.200 -0.121 0.000 2.290 430 E HA 0.119 4.471 4.350 0.003 0.000 0.197 430 E C 0.584 177.184 176.600 -0.001 0.000 0.948 430 E CA 0.508 56.893 56.400 -0.024 0.000 0.895 430 E CB 0.147 29.854 29.700 0.011 0.000 0.865 430 E HN 0.586 nan 8.360 nan 0.000 0.486 431 I N 2.663 123.215 120.570 -0.031 0.000 2.395 431 I HA 0.178 4.349 4.170 0.003 0.000 0.289 431 I C -0.151 175.942 176.117 -0.040 0.000 1.023 431 I CA -1.031 60.249 61.300 -0.034 0.000 1.350 431 I CB 1.447 39.412 38.000 -0.058 0.000 1.409 431 I HN -0.137 nan 8.210 nan 0.000 0.507 432 V N 6.788 126.692 119.914 -0.017 0.000 2.380 432 V HA 0.401 4.523 4.120 0.003 0.000 0.272 432 V C -0.279 175.807 176.094 -0.014 0.000 1.011 432 V CA -0.551 61.748 62.300 -0.001 0.000 0.826 432 V CB 0.964 32.824 31.823 0.061 0.000 1.040 432 V HN 0.738 nan 8.190 nan 0.000 0.441 433 E N 2.215 122.388 120.200 -0.045 0.000 2.331 433 E HA 0.406 4.758 4.350 0.003 0.000 0.275 433 E C -1.558 175.029 176.600 -0.022 0.000 0.895 433 E CA -1.005 55.379 56.400 -0.027 0.000 0.753 433 E CB 3.057 32.737 29.700 -0.032 0.000 1.216 433 E HN 0.565 nan 8.360 nan 0.000 0.434 434 Y N 2.229 122.465 120.300 -0.107 0.000 2.511 434 Y HA 0.197 4.749 4.550 0.003 0.000 0.332 434 Y C -0.379 175.498 175.900 -0.038 0.000 1.177 434 Y CA 0.222 58.268 58.100 -0.089 0.000 1.422 434 Y CB 0.639 39.025 38.460 -0.123 0.000 1.271 434 Y HN 0.458 nan 8.280 nan 0.000 0.550 435 S N 4.104 119.350 115.700 -0.757 0.000 2.549 435 S HA 0.972 5.444 4.470 0.003 0.000 0.280 435 S C -1.082 173.109 174.600 -0.682 0.000 1.109 435 S CA -0.500 57.401 58.200 -0.498 0.000 0.905 435 S CB 1.712 64.816 63.200 -0.160 0.000 1.081 435 S HN 1.141 nan 8.310 nan 0.000 0.477 436 A N 1.289 123.911 122.820 -0.329 0.000 2.569 436 A HA 0.914 5.236 4.320 0.003 0.000 0.290 436 A C -2.625 174.931 177.584 -0.048 0.000 1.136 436 A CA -1.972 49.979 52.037 -0.144 0.000 0.710 436 A CB 0.270 19.270 19.000 0.001 0.000 1.303 436 A HN 0.526 nan 8.150 nan 0.000 0.413 437 P HA -0.177 nan 4.420 nan 0.000 0.217 437 P C 0.473 177.773 177.300 0.000 0.000 1.148 437 P CA 2.016 65.112 63.100 -0.006 0.000 0.834 437 P CB 0.123 31.835 31.700 0.020 0.000 0.783 438 D N -1.970 118.444 120.400 0.023 0.000 2.369 438 D HA 0.013 4.655 4.640 0.003 0.000 0.211 438 D C 0.177 176.494 176.300 0.029 0.000 1.077 438 D CA 0.293 54.310 54.000 0.027 0.000 0.842 438 D CB -0.037 40.789 40.800 0.043 0.000 0.947 438 D HN 0.178 nan 8.370 nan 0.000 0.509 439 E N -0.023 120.194 120.200 0.029 0.000 2.244 439 E HA 0.325 4.677 4.350 0.003 0.000 0.260 439 E C -1.163 175.437 176.600 0.002 0.000 0.884 439 E CA -0.443 55.984 56.400 0.044 0.000 0.777 439 E CB 1.930 31.717 29.700 0.144 0.000 1.197 439 E HN -0.145 nan 8.360 nan 0.000 0.416 440 T N 2.005 116.570 114.554 0.018 0.000 2.788 440 T HA 0.413 4.765 4.350 0.003 0.000 0.296 440 T C -0.133 174.610 174.700 0.072 0.000 1.009 440 T CA -0.475 61.644 62.100 0.032 0.000 0.949 440 T CB 0.983 69.885 68.868 0.057 0.000 0.946 440 T HN 0.503 nan 8.240 nan 0.000 0.453 441 A N 3.651 126.492 122.820 0.036 0.000 2.425 441 A HA 0.632 4.954 4.320 0.003 0.000 0.249 441 A C -0.024 177.554 177.584 -0.010 0.000 1.084 441 A CA -0.305 51.746 52.037 0.023 0.000 0.781 441 A CB 0.275 19.267 19.000 -0.014 0.000 1.019 441 A HN 0.669 nan 8.150 nan 0.000 0.490 442 V N 1.034 120.912 119.914 -0.059 0.000 2.823 442 V HA 0.553 4.675 4.120 0.003 0.000 0.312 442 V C -0.246 175.751 176.094 -0.161 0.000 1.072 442 V CA -0.667 61.502 62.300 -0.219 0.000 0.937 442 V CB 1.609 33.373 31.823 -0.098 0.000 1.013 442 V HN 1.089 nan 8.190 nan 0.000 0.430 443 C N 3.206 122.371 119.300 -0.225 0.000 2.712 443 C HA 0.648 5.110 4.460 0.003 0.000 0.308 443 C C -0.865 174.063 174.990 -0.103 0.000 1.201 443 C CA -0.659 58.289 59.018 -0.116 0.000 1.554 443 C CB 1.845 29.542 27.740 -0.072 0.000 2.117 443 C HN 0.956 nan 8.230 nan 0.000 0.480 444 N N 3.319 121.999 118.700 -0.032 0.000 2.372 444 N HA 0.716 5.457 4.740 0.003 0.000 0.291 444 N C -1.392 174.138 175.510 0.033 0.000 1.024 444 N CA -0.429 52.625 53.050 0.007 0.000 0.873 444 N CB 1.725 40.233 38.487 0.036 0.000 1.206 444 N HN 0.332 nan 8.380 nan 0.000 0.486 445 L N 1.062 122.317 121.223 0.053 0.000 2.341 445 L HA 0.877 5.219 4.340 0.003 0.000 0.267 445 L C -0.027 176.877 176.870 0.056 0.000 1.009 445 L CA -0.832 54.036 54.840 0.046 0.000 0.819 445 L CB 1.737 43.819 42.059 0.039 0.000 1.323 445 L HN 0.720 nan 8.230 nan 0.000 0.425 446 A N 0.590 123.407 122.820 -0.006 0.000 2.594 446 A HA 0.914 5.236 4.320 0.003 0.000 0.291 446 A C -1.139 176.435 177.584 -0.017 0.000 1.105 446 A CA -0.340 51.651 52.037 -0.078 0.000 0.694 446 A CB 1.898 20.687 19.000 -0.353 0.000 1.291 446 A HN 0.680 nan 8.150 nan 0.000 0.410 447 S N -0.089 115.630 115.700 0.032 0.000 2.521 447 S HA 0.676 5.148 4.470 0.003 0.000 0.295 447 S C -0.740 173.942 174.600 0.137 0.000 1.098 447 S CA -0.647 57.599 58.200 0.077 0.000 0.999 447 S CB 1.230 64.488 63.200 0.096 0.000 1.034 447 S HN 1.090 nan 8.310 nan 0.000 0.483 448 V N 2.383 122.365 119.914 0.114 0.000 2.461 448 V HA 0.585 4.707 4.120 0.003 0.000 0.275 448 V C 0.822 177.041 176.094 0.209 0.000 1.047 448 V CA -0.494 61.924 62.300 0.197 0.000 0.955 448 V CB 0.747 32.625 31.823 0.091 0.000 0.988 448 V HN 1.133 nan 8.190 nan 0.000 0.471 449 A N 5.580 128.565 122.820 0.275 0.000 2.457 449 A HA 0.420 4.742 4.320 0.003 0.000 0.298 449 A C 1.098 178.747 177.584 0.110 0.000 1.288 449 A CA -0.270 51.862 52.037 0.158 0.000 0.956 449 A CB -0.240 18.881 19.000 0.200 0.000 1.135 449 A HN 0.934 nan 8.150 nan 0.000 0.535 450 L N 2.883 124.114 121.223 0.014 0.000 2.131 450 L HA -0.105 4.237 4.340 0.003 0.000 0.210 450 L C -0.549 176.401 176.870 0.132 0.000 1.092 450 L CA 1.202 56.115 54.840 0.122 0.000 0.759 450 L CB -1.229 40.806 42.059 -0.040 0.000 0.903 450 L HN 0.432 nan 8.230 nan 0.000 0.435 451 P HA -0.192 nan 4.420 nan 0.000 0.218 451 P C 1.413 178.600 177.300 -0.187 0.000 1.148 451 P CA 1.634 64.591 63.100 -0.238 0.000 0.822 451 P CB -0.032 31.328 31.700 -0.567 0.000 0.784 452 A N -1.941 120.685 122.820 -0.324 0.000 2.186 452 A HA -0.145 4.177 4.320 0.003 0.000 0.219 452 A C 1.301 178.499 177.584 -0.644 0.000 1.159 452 A CA 1.310 52.995 52.037 -0.588 0.000 0.680 452 A CB -1.595 16.853 19.000 -0.920 0.000 0.787 452 A HN 0.208 nan 8.150 nan 0.000 0.467 453 F N -1.138 118.681 119.950 -0.219 0.000 2.682 453 F HA 0.378 4.907 4.527 0.003 0.000 0.308 453 F C 0.463 175.908 175.800 -0.591 0.000 1.093 453 F CA -0.643 57.086 58.000 -0.451 0.000 1.244 453 F CB 0.092 38.629 39.000 -0.772 0.000 1.052 453 F HN -0.057 nan 8.300 nan 0.000 0.573 454 I N 2.928 123.375 120.570 -0.205 0.000 2.598 454 I HA 0.054 4.226 4.170 0.003 0.000 0.284 454 I C 0.080 176.148 176.117 -0.080 0.000 1.140 454 I CA 0.444 61.702 61.300 -0.071 0.000 1.420 454 I CB 0.261 38.273 38.000 0.020 0.000 1.387 454 I HN 0.253 nan 8.210 nan 0.000 0.553 455 E N 3.311 123.479 120.200 -0.054 0.000 2.290 455 E HA 0.254 4.606 4.350 0.003 0.000 0.274 455 E C 0.182 176.776 176.600 -0.011 0.000 0.889 455 E CA -0.722 55.657 56.400 -0.036 0.000 0.760 455 E CB 1.579 31.256 29.700 -0.039 0.000 1.206 455 E HN 0.647 nan 8.360 nan 0.000 0.419 456 T N 0.318 114.868 114.554 -0.008 0.000 2.821 456 T HA -0.120 4.232 4.350 0.003 0.000 0.267 456 T C 1.346 176.047 174.700 0.002 0.000 1.046 456 T CA 0.801 62.901 62.100 0.001 0.000 1.139 456 T CB -0.342 68.526 68.868 -0.000 0.000 0.871 456 T HN 0.465 nan 8.240 nan 0.000 0.454 457 S N 1.701 117.399 115.700 -0.003 0.000 4.001 457 S HA -0.151 4.321 4.470 0.003 0.000 0.457 457 S C 0.607 175.209 174.600 0.003 0.000 0.787 457 S CA 1.044 59.243 58.200 -0.001 0.000 1.758 457 S CB -0.987 62.210 63.200 -0.004 0.000 1.159 457 S HN 0.778 nan 8.310 nan 0.000 0.562 458 E N 2.006 122.207 120.200 0.003 0.000 2.321 458 E HA 0.096 4.448 4.350 0.003 0.000 0.256 458 E C 0.076 176.677 176.600 0.002 0.000 1.101 458 E CA 0.570 56.972 56.400 0.004 0.000 1.790 458 E CB 0.206 29.911 29.700 0.008 0.000 3.331 458 E HN 0.723 nan 8.360 nan 0.000 1.027 459 D N -1.143 119.258 120.400 0.002 0.000 3.995 459 D HA 0.177 4.819 4.640 0.003 0.000 0.131 459 D C 0.243 176.544 176.300 0.002 0.000 1.702 459 D CA -0.138 53.863 54.000 0.002 0.000 0.947 459 D CB -0.350 40.452 40.800 0.002 0.000 2.840 459 D HN 0.194 nan 8.370 nan 0.000 0.328 460 G N -1.232 107.570 108.800 0.004 0.000 2.498 460 G HA2 0.537 4.499 3.960 0.003 0.000 0.312 460 G HA3 0.537 4.499 3.960 0.003 0.000 0.312 460 G C -0.033 174.871 174.900 0.006 0.000 1.230 460 G CA 0.175 45.277 45.100 0.004 0.000 0.968 460 G HN 0.570 nan 8.290 nan 0.000 0.481 461 K N -1.249 119.156 120.400 0.007 0.000 10.881 461 K HA -0.244 4.078 4.320 0.003 0.000 0.508 461 K C 1.126 177.732 176.600 0.010 0.000 0.426 461 K CA 2.328 58.621 56.287 0.010 0.000 1.827 461 K CB -1.855 30.652 32.500 0.011 0.000 0.800 461 K HN 0.713 nan 8.250 nan 0.000 1.232 462 T N 1.757 116.318 114.554 0.011 0.000 2.658 462 T HA 0.091 4.443 4.350 0.003 0.000 0.252 462 T C -0.024 174.686 174.700 0.016 0.000 1.021 462 T CA 0.757 62.865 62.100 0.013 0.000 1.169 462 T CB -0.248 68.628 68.868 0.013 0.000 1.015 462 T HN 0.453 nan 8.240 nan 0.000 0.489 463 S N 2.807 118.519 115.700 0.020 0.000 2.537 463 S HA 0.822 5.294 4.470 0.003 0.000 0.301 463 S C 0.105 174.731 174.600 0.044 0.000 1.092 463 S CA -1.084 57.131 58.200 0.025 0.000 1.048 463 S CB 2.009 65.220 63.200 0.019 0.000 1.053 463 S HN 0.762 nan 8.310 nan 0.000 0.501 464 T N -0.751 113.835 114.554 0.052 0.000 2.807 464 T HA 0.600 4.952 4.350 0.003 0.000 0.277 464 T C -1.580 173.184 174.700 0.106 0.000 1.006 464 T CA -0.653 61.502 62.100 0.091 0.000 1.006 464 T CB 0.698 69.618 68.868 0.087 0.000 1.274 464 T HN 0.641 nan 8.240 nan 0.000 0.569 465 Y N 1.290 121.566 120.300 -0.039 0.000 2.328 465 Y HA 0.452 5.004 4.550 0.003 0.000 0.336 465 Y C 0.009 175.758 175.900 -0.251 0.000 0.960 465 Y CA -1.189 56.779 58.100 -0.221 0.000 1.134 465 Y CB 1.257 39.438 38.460 -0.466 0.000 1.166 465 Y HN 0.641 nan 8.280 nan 0.000 0.464 466 N N 6.032 124.427 118.700 -0.509 0.000 2.671 466 N HA 0.010 4.752 4.740 0.003 0.000 0.274 466 N C 0.316 175.665 175.510 -0.269 0.000 1.188 466 N CA 0.439 53.347 53.050 -0.236 0.000 1.065 466 N CB -0.318 38.105 38.487 -0.105 0.000 1.415 466 N HN 0.707 nan 8.380 nan 0.000 0.511 467 F N 1.266 121.252 119.950 0.060 0.000 2.269 467 F HA -0.071 4.458 4.527 0.003 0.000 0.301 467 F C 2.145 178.088 175.800 0.238 0.000 1.082 467 F CA 0.886 58.992 58.000 0.176 0.000 1.360 467 F CB 0.203 39.348 39.000 0.241 0.000 1.041 467 F HN 0.326 nan 8.300 nan 0.000 0.512 468 K N 0.016 120.608 120.400 0.320 0.000 2.103 468 K HA -0.117 4.205 4.320 0.003 0.000 0.204 468 K C 2.159 178.867 176.600 0.180 0.000 1.052 468 K CA 0.782 57.242 56.287 0.288 0.000 0.945 468 K CB -0.050 32.543 32.500 0.155 0.000 0.722 468 K HN 0.064 nan 8.250 nan 0.000 0.443 469 K N 0.971 121.432 120.400 0.103 0.000 2.062 469 K HA -0.093 4.229 4.320 0.003 0.000 0.205 469 K C 2.164 178.771 176.600 0.012 0.000 1.051 469 K CA 0.618 56.970 56.287 0.107 0.000 0.941 469 K CB -0.312 32.323 32.500 0.225 0.000 0.719 469 K HN 0.040 nan 8.250 nan 0.000 0.440 470 L N 1.354 122.370 121.223 -0.345 0.000 1.990 470 L HA -0.242 4.100 4.340 0.003 0.000 0.213 470 L C 2.553 179.226 176.870 -0.327 0.000 1.072 470 L CA 1.962 56.315 54.840 -0.813 0.000 0.755 470 L CB -0.802 40.771 42.059 -0.810 0.000 0.889 470 L HN 0.356 nan 8.230 nan 0.000 0.432 471 H N -0.280 118.649 119.070 -0.236 0.000 2.319 471 H HA -0.263 4.295 4.556 0.003 0.000 0.297 471 H C 2.168 177.356 175.328 -0.233 0.000 1.097 471 H CA 2.299 58.156 56.048 -0.319 0.000 1.285 471 H CB 0.048 29.533 29.762 -0.462 0.000 1.368 471 H HN 0.635 nan 8.280 nan 0.000 0.495 472 E N -0.049 120.154 120.200 0.006 0.000 2.058 472 E HA -0.152 4.200 4.350 0.003 0.000 0.194 472 E C 2.360 178.908 176.600 -0.086 0.000 0.997 472 E CA 1.273 57.666 56.400 -0.013 0.000 0.801 472 E CB 0.043 29.759 29.700 0.027 0.000 0.746 472 E HN 0.357 nan 8.360 nan 0.000 0.450 473 I N 1.271 121.795 120.570 -0.077 0.000 2.202 473 I HA -0.184 3.988 4.170 0.003 0.000 0.242 473 I C 2.643 178.630 176.117 -0.217 0.000 1.091 473 I CA 1.266 62.524 61.300 -0.069 0.000 1.368 473 I CB -1.592 36.499 38.000 0.152 0.000 1.058 473 I HN 0.190 nan 8.210 nan 0.000 0.410 474 A N 1.140 123.806 122.820 -0.257 0.000 1.978 474 A HA -0.219 4.103 4.320 0.003 0.000 0.220 474 A C 2.241 179.648 177.584 -0.295 0.000 1.170 474 A CA 1.519 53.375 52.037 -0.301 0.000 0.636 474 A CB -0.493 18.310 19.000 -0.328 0.000 0.810 474 A HN 0.440 nan 8.150 nan 0.000 0.448 475 K N -0.450 119.777 120.400 -0.289 0.000 2.217 475 K HA 0.008 4.330 4.320 0.003 0.000 0.202 475 K C 1.803 178.307 176.600 -0.159 0.000 1.051 475 K CA 1.162 57.315 56.287 -0.224 0.000 0.952 475 K CB -0.327 32.055 32.500 -0.197 0.000 0.736 475 K HN 0.349 nan 8.250 nan 0.000 0.453 476 V N 1.450 121.263 119.914 -0.170 0.000 2.283 476 V HA -0.198 3.924 4.120 0.003 0.000 0.243 476 V C 2.408 178.390 176.094 -0.188 0.000 1.039 476 V CA 1.349 63.574 62.300 -0.125 0.000 1.016 476 V CB -0.325 31.448 31.823 -0.083 0.000 0.650 476 V HN 0.014 nan 8.190 nan 0.000 0.449 477 V N 0.061 119.720 119.914 -0.424 0.000 2.287 477 V HA -0.306 3.816 4.120 0.003 0.000 0.248 477 V C 2.588 178.560 176.094 -0.204 0.000 1.053 477 V CA 2.647 64.652 62.300 -0.493 0.000 1.027 477 V CB -1.306 30.119 31.823 -0.664 0.000 0.646 477 V HN 0.623 nan 8.190 nan 0.000 0.447 478 T N 0.006 114.458 114.554 -0.169 0.000 2.653 478 T HA -0.279 4.073 4.350 0.003 0.000 0.268 478 T C 2.028 176.706 174.700 -0.037 0.000 1.035 478 T CA 2.032 64.077 62.100 -0.091 0.000 1.154 478 T CB -0.308 68.496 68.868 -0.107 0.000 0.862 478 T HN 0.486 nan 8.240 nan 0.000 0.441 479 R N 0.809 121.295 120.500 -0.023 0.000 2.090 479 R HA 0.015 4.357 4.340 0.003 0.000 0.228 479 R C 2.427 178.765 176.300 0.062 0.000 1.110 479 R CA 1.181 57.299 56.100 0.030 0.000 0.973 479 R CB -0.311 30.022 30.300 0.056 0.000 0.869 479 R HN 0.325 nan 8.270 nan 0.000 0.440 480 N N 0.957 119.708 118.700 0.086 0.000 2.104 480 N HA -0.124 4.618 4.740 0.003 0.000 0.190 480 N C 1.756 177.298 175.510 0.052 0.000 1.024 480 N CA 1.157 54.252 53.050 0.075 0.000 0.853 480 N CB -0.177 38.473 38.487 0.272 0.000 1.008 480 N HN 0.172 nan 8.380 nan 0.000 0.424 481 L N 0.324 121.602 121.223 0.093 0.000 2.156 481 L HA -0.007 4.335 4.340 0.003 0.000 0.208 481 L C 1.889 178.783 176.870 0.039 0.000 1.095 481 L CA 0.608 55.498 54.840 0.083 0.000 0.770 481 L CB -0.320 41.781 42.059 0.069 0.000 0.914 481 L HN 0.217 nan 8.230 nan 0.000 0.439 482 N N 0.020 118.737 118.700 0.029 0.000 2.120 482 N HA -0.155 4.587 4.740 0.003 0.000 0.188 482 N C 1.966 177.489 175.510 0.022 0.000 1.024 482 N CA 1.008 54.075 53.050 0.029 0.000 0.852 482 N CB 0.009 38.513 38.487 0.028 0.000 1.003 482 N HN 0.270 nan 8.380 nan 0.000 0.424 483 R N 0.986 121.485 120.500 -0.002 0.000 2.080 483 R HA -0.062 4.280 4.340 0.003 0.000 0.236 483 R C 2.337 178.618 176.300 -0.032 0.000 1.137 483 R CA 0.684 56.766 56.100 -0.030 0.000 0.943 483 R CB -1.177 29.055 30.300 -0.113 0.000 0.846 483 R HN 0.104 nan 8.270 nan 0.000 0.431 484 V N 2.011 121.896 119.914 -0.048 0.000 2.278 484 V HA -0.293 3.829 4.120 0.003 0.000 0.251 484 V C 2.499 178.592 176.094 -0.003 0.000 1.062 484 V CA 1.959 64.234 62.300 -0.041 0.000 1.038 484 V CB -0.591 31.211 31.823 -0.035 0.000 0.646 484 V HN 0.240 nan 8.190 nan 0.000 0.447 485 I N 0.167 120.762 120.570 0.041 0.000 2.087 485 I HA -0.332 3.840 4.170 0.003 0.000 0.240 485 I C 2.329 178.526 176.117 0.133 0.000 1.054 485 I CA 2.147 63.514 61.300 0.111 0.000 1.311 485 I CB -0.583 37.483 38.000 0.109 0.000 1.024 485 I HN 0.374 nan 8.210 nan 0.000 0.402 486 D N 0.206 120.659 120.400 0.087 0.000 2.219 486 D HA -0.101 4.540 4.640 0.003 0.000 0.205 486 D C 2.061 178.402 176.300 0.068 0.000 0.970 486 D CA 1.022 55.077 54.000 0.092 0.000 0.851 486 D CB -0.085 40.755 40.800 0.066 0.000 0.943 486 D HN 0.392 nan 8.370 nan 0.000 0.488 487 R N 0.105 120.619 120.500 0.023 0.000 2.362 487 R HA 0.107 4.449 4.340 0.003 0.000 0.227 487 R C 0.383 176.667 176.300 -0.026 0.000 0.905 487 R CA -0.352 55.753 56.100 0.009 0.000 1.067 487 R CB 0.252 30.549 30.300 -0.005 0.000 1.078 487 R HN -0.021 nan 8.270 nan 0.000 0.516 488 N N 0.556 119.190 118.700 -0.110 0.000 2.503 488 N HA -0.067 4.675 4.740 0.003 0.000 0.267 488 N C -1.250 174.064 175.510 -0.326 0.000 1.214 488 N CA -0.160 52.727 53.050 -0.272 0.000 0.959 488 N CB 0.483 38.666 38.487 -0.506 0.000 1.142 488 N HN 0.004 nan 8.380 nan 0.000 0.455 489 Y N 3.006 123.107 120.300 -0.331 0.000 2.335 489 Y HA 0.373 4.925 4.550 0.003 0.000 0.339 489 Y C -1.374 174.391 175.900 -0.225 0.000 0.987 489 Y CA -0.757 57.225 58.100 -0.196 0.000 1.140 489 Y CB 0.241 38.669 38.460 -0.053 0.000 1.173 489 Y HN 0.466 nan 8.280 nan 0.000 0.486 490 Y N 8.418 128.452 120.300 -0.444 0.000 2.320 490 Y HA 0.298 4.850 4.550 0.003 0.000 0.334 490 Y C -1.398 174.132 175.900 -0.616 0.000 1.055 490 Y CA -2.316 55.587 58.100 -0.328 0.000 1.143 490 Y CB 0.907 39.295 38.460 -0.119 0.000 1.193 490 Y HN 0.576 nan 8.280 nan 0.000 0.477 491 P HA -0.099 nan 4.420 nan 0.000 0.219 491 P C -0.171 177.041 177.300 -0.145 0.000 1.150 491 P CA 1.157 64.135 63.100 -0.202 0.000 0.814 491 P CB 0.340 31.950 31.700 -0.150 0.000 0.787 492 V N -4.194 115.666 119.914 -0.091 0.000 2.925 492 V HA 0.478 4.600 4.120 0.003 0.000 0.311 492 V C 1.334 177.405 176.094 -0.038 0.000 1.104 492 V CA -0.849 61.412 62.300 -0.065 0.000 0.954 492 V CB 2.026 33.802 31.823 -0.077 0.000 1.022 492 V HN -0.260 nan 8.190 nan 0.000 0.427 493 E N 2.034 122.211 120.200 -0.039 0.000 2.153 493 E HA -0.191 4.161 4.350 0.003 0.000 0.194 493 E C 1.516 178.082 176.600 -0.056 0.000 0.988 493 E CA 2.257 58.630 56.400 -0.044 0.000 0.811 493 E CB -0.122 29.563 29.700 -0.025 0.000 0.746 493 E HN 0.900 nan 8.360 nan 0.000 0.466 494 E N -0.033 120.145 120.200 -0.036 0.000 2.160 494 E HA -0.121 4.231 4.350 0.003 0.000 0.195 494 E C 1.876 178.460 176.600 -0.028 0.000 0.991 494 E CA 1.391 57.776 56.400 -0.026 0.000 0.810 494 E CB -0.304 29.386 29.700 -0.017 0.000 0.742 494 E HN 0.422 nan 8.360 nan 0.000 0.466 495 A N 0.754 123.565 122.820 -0.016 0.000 1.930 495 A HA -0.070 4.252 4.320 0.003 0.000 0.215 495 A C 2.105 179.503 177.584 -0.311 0.000 1.176 495 A CA 1.107 53.154 52.037 0.018 0.000 0.632 495 A CB -0.229 18.950 19.000 0.297 0.000 0.819 495 A HN 0.078 nan 8.150 nan 0.000 0.445 496 R N 0.095 120.315 120.500 -0.467 0.000 2.062 496 R HA -0.119 4.223 4.340 0.003 0.000 0.231 496 R C 2.272 178.316 176.300 -0.426 0.000 1.136 496 R CA 1.772 57.382 56.100 -0.817 0.000 0.948 496 R CB -0.320 29.724 30.300 -0.426 0.000 0.845 496 R HN 0.504 nan 8.270 nan 0.000 0.430 497 K N 0.114 120.383 120.400 -0.220 0.000 2.020 497 K HA -0.183 4.139 4.320 0.003 0.000 0.212 497 K C 2.144 178.662 176.600 -0.136 0.000 1.050 497 K CA 2.013 58.220 56.287 -0.134 0.000 0.929 497 K CB -0.334 32.127 32.500 -0.065 0.000 0.714 497 K HN 0.114 nan 8.250 nan 0.000 0.443 498 S N 0.528 116.173 115.700 -0.092 0.000 2.365 498 S HA -0.198 4.274 4.470 0.003 0.000 0.225 498 S C 1.818 176.374 174.600 -0.073 0.000 1.039 498 S CA 1.959 60.153 58.200 -0.011 0.000 1.033 498 S CB -0.403 62.835 63.200 0.063 0.000 0.887 498 S HN 0.415 nan 8.310 nan 0.000 0.447 499 N N 0.037 118.644 118.700 -0.155 0.000 2.300 499 N HA 0.123 4.865 4.740 0.003 0.000 0.179 499 N C 1.590 177.043 175.510 -0.096 0.000 1.016 499 N CA 0.938 53.924 53.050 -0.107 0.000 0.876 499 N CB -0.209 38.204 38.487 -0.122 0.000 0.979 499 N HN 0.349 nan 8.380 nan 0.000 0.432 500 M N -0.261 119.247 119.600 -0.155 0.000 2.349 500 M HA 0.079 4.561 4.480 0.003 0.000 0.266 500 M C 1.810 178.058 176.300 -0.087 0.000 1.076 500 M CA 0.803 56.055 55.300 -0.081 0.000 1.126 500 M CB -0.610 31.943 32.600 -0.079 0.000 1.392 500 M HN 0.119 nan 8.290 nan 0.000 0.440 501 R N -0.752 119.623 120.500 -0.209 0.000 2.075 501 R HA -0.065 4.277 4.340 0.003 0.000 0.226 501 R C 1.671 177.826 176.300 -0.243 0.000 1.114 501 R CA 1.004 56.907 56.100 -0.329 0.000 0.972 501 R CB 0.144 30.053 30.300 -0.651 0.000 0.869 501 R HN 0.478 nan 8.270 nan 0.000 0.437 502 H N -0.972 118.151 119.070 0.087 0.000 3.046 502 H HA 0.272 4.830 4.556 0.003 0.000 0.262 502 H C 0.011 175.231 175.328 -0.179 0.000 1.044 502 H CA -0.116 55.938 56.048 0.010 0.000 1.209 502 H CB 0.601 30.350 29.762 -0.021 0.000 1.507 502 H HN 0.031 nan 8.280 nan 0.000 0.507 503 R N 0.796 121.307 120.500 0.018 0.000 3.322 503 R HA -0.110 4.232 4.340 0.003 0.000 0.253 503 R C -2.565 173.706 176.300 -0.048 0.000 0.987 503 R CA 0.162 56.260 56.100 -0.003 0.000 0.666 503 R CB -1.763 28.552 30.300 0.024 0.000 1.072 503 R HN 0.377 nan 8.270 nan 0.000 0.447 504 P HA 0.250 nan 4.420 nan 0.000 0.275 504 P C -0.063 177.230 177.300 -0.012 0.000 1.228 504 P CA -0.080 62.995 63.100 -0.042 0.000 0.786 504 P CB 0.881 32.565 31.700 -0.028 0.000 0.927 505 I N 1.070 121.636 120.570 -0.007 0.000 2.934 505 I HA 0.574 4.746 4.170 0.003 0.000 0.306 505 I C -0.370 175.756 176.117 0.014 0.000 1.110 505 I CA -1.605 59.700 61.300 0.008 0.000 1.019 505 I CB 1.776 39.782 38.000 0.010 0.000 1.227 505 I HN 0.419 nan 8.210 nan 0.000 0.434 506 A N 5.752 128.582 122.820 0.017 0.000 2.522 506 A HA 0.735 5.057 4.320 0.003 0.000 0.285 506 A C -1.360 176.241 177.584 0.029 0.000 1.198 506 A CA -0.335 51.719 52.037 0.028 0.000 0.742 506 A CB 0.490 19.504 19.000 0.023 0.000 1.176 506 A HN 0.452 nan 8.150 nan 0.000 0.444 507 L N 1.859 123.103 121.223 0.035 0.000 2.343 507 L HA 0.828 5.170 4.340 0.003 0.000 0.275 507 L C 0.959 177.876 176.870 0.079 0.000 1.056 507 L CA 0.596 55.450 54.840 0.023 0.000 0.804 507 L CB 1.851 43.904 42.059 -0.009 0.000 1.203 507 L HN 0.809 nan 8.230 nan 0.000 0.440 508 G N 0.693 109.543 108.800 0.083 0.000 3.021 508 G HA2 0.749 4.711 3.960 0.003 0.000 0.290 508 G HA3 0.749 4.711 3.960 0.003 0.000 0.290 508 G C -1.485 173.486 174.900 0.119 0.000 1.291 508 G CA -0.084 45.112 45.100 0.161 0.000 0.834 508 G HN 0.673 nan 8.290 nan 0.000 0.564 509 V N -2.062 117.958 119.914 0.177 0.000 3.078 509 V HA 0.914 5.036 4.120 0.003 0.000 0.311 509 V C -0.968 175.200 176.094 0.124 0.000 1.138 509 V CA -0.760 61.609 62.300 0.115 0.000 1.007 509 V CB 1.401 33.269 31.823 0.075 0.000 1.045 509 V HN 1.212 nan 8.190 nan 0.000 0.432 510 Q N 1.309 121.165 119.800 0.093 0.000 2.484 510 Q HA 0.767 5.109 4.340 0.003 0.000 0.285 510 Q C 0.399 176.418 176.000 0.032 0.000 1.097 510 Q CA -0.642 55.213 55.803 0.088 0.000 0.802 510 Q CB 1.819 30.642 28.738 0.141 0.000 1.444 510 Q HN 2.457 nan 8.270 nan 0.000 0.429 511 G N 0.628 109.454 108.800 0.043 0.000 2.221 511 G HA2 -0.259 3.702 3.960 0.003 0.000 0.265 511 G HA3 -0.259 3.702 3.960 0.003 0.000 0.265 511 G C 0.201 175.008 174.900 -0.155 0.000 1.041 511 G CA 0.445 45.515 45.100 -0.050 0.000 0.807 511 G HN 0.612 nan 8.290 nan 0.000 0.502 512 L N -0.708 120.432 121.223 -0.139 0.000 2.046 512 L HA -0.002 4.339 4.340 0.003 0.000 0.208 512 L C 3.085 179.653 176.870 -0.503 0.000 1.077 512 L CA 2.445 57.061 54.840 -0.372 0.000 0.747 512 L CB -0.672 41.227 42.059 -0.268 0.000 0.896 512 L HN 0.535 nan 8.230 nan 0.000 0.432 513 A N 0.139 122.892 122.820 -0.112 0.000 1.877 513 A HA -0.286 4.036 4.320 0.003 0.000 0.216 513 A C 1.692 179.319 177.584 0.072 0.000 1.186 513 A CA 2.151 54.243 52.037 0.092 0.000 0.620 513 A CB -0.775 18.348 19.000 0.205 0.000 0.822 513 A HN 0.511 nan 8.150 nan 0.000 0.443 514 D N -0.593 119.852 120.400 0.076 0.000 2.133 514 D HA -0.126 4.516 4.640 0.003 0.000 0.195 514 D C 1.903 178.103 176.300 -0.166 0.000 0.997 514 D CA 1.960 55.985 54.000 0.041 0.000 0.840 514 D CB -0.552 40.323 40.800 0.125 0.000 0.947 514 D HN 0.420 nan 8.370 nan 0.000 0.452 515 T N 0.150 114.588 114.554 -0.194 0.000 2.746 515 T HA -0.107 4.245 4.350 0.003 0.000 0.267 515 T C 1.475 176.164 174.700 -0.019 0.000 1.039 515 T CA 0.680 62.685 62.100 -0.158 0.000 1.142 515 T CB -0.265 68.465 68.868 -0.230 0.000 0.866 515 T HN 0.047 nan 8.240 nan 0.000 0.444 516 F N 1.306 121.183 119.950 -0.123 0.000 2.113 516 F HA 0.150 4.678 4.527 0.003 0.000 0.297 516 F C 2.386 178.117 175.800 -0.115 0.000 1.103 516 F CA 0.285 58.207 58.000 -0.129 0.000 1.248 516 F CB -1.151 37.775 39.000 -0.123 0.000 0.999 516 F HN 0.141 nan 8.300 nan 0.000 0.475 517 M N -0.841 118.820 119.600 0.103 0.000 2.108 517 M HA -0.212 4.270 4.480 0.003 0.000 0.261 517 M C 2.162 178.388 176.300 -0.123 0.000 1.066 517 M CA 1.240 56.538 55.300 -0.004 0.000 1.107 517 M CB -0.526 32.166 32.600 0.154 0.000 1.356 517 M HN 0.078 nan 8.290 nan 0.000 0.406 518 L N 0.017 121.094 121.223 -0.243 0.000 2.093 518 L HA -0.099 4.243 4.340 0.003 0.000 0.208 518 L C 2.031 178.852 176.870 -0.082 0.000 1.085 518 L CA 1.620 56.323 54.840 -0.228 0.000 0.755 518 L CB -0.892 41.010 42.059 -0.262 0.000 0.904 518 L HN 0.392 nan 8.230 nan 0.000 0.435 519 L N -0.560 120.639 121.223 -0.040 0.000 2.627 519 L HA 0.058 4.400 4.340 0.003 0.000 0.233 519 L C 0.534 177.390 176.870 -0.024 0.000 1.144 519 L CA -0.055 54.779 54.840 -0.008 0.000 0.892 519 L CB -0.061 42.010 42.059 0.020 0.000 1.039 519 L HN 0.293 nan 8.230 nan 0.000 0.442 520 R N 0.087 120.562 120.500 -0.040 0.000 3.651 520 R HA -0.144 4.198 4.340 0.003 0.000 0.292 520 R C -0.644 175.607 176.300 -0.081 0.000 1.161 520 R CA 0.626 56.691 56.100 -0.058 0.000 0.787 520 R CB -2.436 27.845 30.300 -0.033 0.000 1.249 520 R HN 0.325 nan 8.270 nan 0.000 0.476 521 L N 1.898 123.067 121.223 -0.089 0.000 2.287 521 L HA 0.453 4.794 4.340 0.003 0.000 0.287 521 L C -1.788 174.992 176.870 -0.150 0.000 1.022 521 L CA -2.111 52.638 54.840 -0.151 0.000 0.814 521 L CB 1.597 43.511 42.059 -0.241 0.000 1.217 521 L HN -0.257 nan 8.230 nan 0.000 0.420 522 P HA -0.032 nan 4.420 nan 0.000 0.268 522 P C 0.590 177.826 177.300 -0.106 0.000 1.204 522 P CA -0.105 62.950 63.100 -0.075 0.000 0.768 522 P CB 0.781 32.448 31.700 -0.055 0.000 0.842 523 F N 3.159 123.061 119.950 -0.080 0.000 2.120 523 F HA -0.246 4.283 4.527 0.003 0.000 0.300 523 F C 1.570 177.303 175.800 -0.111 0.000 1.095 523 F CA 2.332 60.311 58.000 -0.035 0.000 1.249 523 F CB -0.298 38.796 39.000 0.156 0.000 0.995 523 F HN 0.290 nan 8.300 nan 0.000 0.480 524 D N -0.654 119.848 120.400 0.171 0.000 2.349 524 D HA 0.018 4.659 4.640 0.003 0.000 0.224 524 D C 0.905 177.190 176.300 -0.024 0.000 1.029 524 D CA 0.568 54.620 54.000 0.087 0.000 0.879 524 D CB -1.230 39.633 40.800 0.104 0.000 0.906 524 D HN 0.238 nan 8.370 nan 0.000 0.528 525 S N -0.134 115.502 115.700 -0.108 0.000 2.593 525 S HA 0.067 4.539 4.470 0.003 0.000 0.269 525 S C 1.180 175.690 174.600 -0.150 0.000 1.334 525 S CA -0.533 57.590 58.200 -0.128 0.000 1.015 525 S CB 1.933 65.035 63.200 -0.163 0.000 0.912 525 S HN -0.022 nan 8.310 nan 0.000 0.541 526 E N 0.894 121.030 120.200 -0.107 0.000 2.204 526 E HA -0.121 4.231 4.350 0.003 0.000 0.194 526 E C 1.456 177.976 176.600 -0.134 0.000 0.989 526 E CA 1.579 57.921 56.400 -0.096 0.000 0.824 526 E CB -0.278 29.387 29.700 -0.059 0.000 0.756 526 E HN 0.797 nan 8.360 nan 0.000 0.477 527 E N -0.061 120.041 120.200 -0.163 0.000 2.051 527 E HA 0.064 4.416 4.350 0.003 0.000 0.189 527 E C 1.961 178.390 176.600 -0.285 0.000 0.979 527 E CA 1.210 57.505 56.400 -0.175 0.000 0.803 527 E CB -0.494 29.119 29.700 -0.145 0.000 0.761 527 E HN 0.345 nan 8.360 nan 0.000 0.451 528 A N 1.417 123.947 122.820 -0.483 0.000 1.892 528 A HA -0.296 4.026 4.320 0.003 0.000 0.218 528 A C 2.167 179.418 177.584 -0.554 0.000 1.188 528 A CA 2.079 53.553 52.037 -0.939 0.000 0.631 528 A CB -0.595 17.542 19.000 -1.438 0.000 0.822 528 A HN 0.167 nan 8.150 nan 0.000 0.447 529 R N -0.509 119.793 120.500 -0.330 0.000 2.083 529 R HA -0.107 4.235 4.340 0.003 0.000 0.237 529 R C 2.135 178.356 176.300 -0.132 0.000 1.137 529 R CA 1.741 57.740 56.100 -0.168 0.000 0.951 529 R CB -0.479 29.758 30.300 -0.104 0.000 0.851 529 R HN 0.514 nan 8.270 nan 0.000 0.434 530 L N 0.725 121.855 121.223 -0.154 0.000 1.989 530 L HA -0.234 4.108 4.340 0.003 0.000 0.211 530 L C 2.559 179.322 176.870 -0.178 0.000 1.071 530 L CA 1.084 55.812 54.840 -0.186 0.000 0.749 530 L CB -0.411 41.551 42.059 -0.162 0.000 0.890 530 L HN 0.304 nan 8.230 nan 0.000 0.431 531 L N 0.285 121.441 121.223 -0.112 0.000 2.042 531 L HA -0.276 4.065 4.340 0.003 0.000 0.210 531 L C 2.119 179.016 176.870 0.044 0.000 1.076 531 L CA 2.155 56.987 54.840 -0.014 0.000 0.749 531 L CB -0.860 41.190 42.059 -0.014 0.000 0.893 531 L HN 0.342 nan 8.230 nan 0.000 0.432 532 N N -0.437 118.323 118.700 0.100 0.000 2.104 532 N HA -0.214 4.528 4.740 0.003 0.000 0.190 532 N C 1.810 177.460 175.510 0.233 0.000 1.024 532 N CA 2.009 55.189 53.050 0.216 0.000 0.853 532 N CB -0.279 38.343 38.487 0.226 0.000 1.008 532 N HN 0.509 nan 8.380 nan 0.000 0.424 533 I N 0.090 120.706 120.570 0.076 0.000 2.252 533 I HA -0.262 3.910 4.170 0.003 0.000 0.245 533 I C 2.192 178.279 176.117 -0.050 0.000 1.102 533 I CA 1.132 62.473 61.300 0.069 0.000 1.385 533 I CB -0.301 37.660 38.000 -0.064 0.000 1.064 533 I HN 0.328 nan 8.210 nan 0.000 0.414 534 Q N 0.503 120.213 119.800 -0.150 0.000 2.083 534 Q HA -0.093 4.249 4.340 0.003 0.000 0.198 534 Q C 2.381 178.457 176.000 0.127 0.000 0.969 534 Q CA 1.219 56.944 55.803 -0.131 0.000 0.838 534 Q CB -0.027 28.534 28.738 -0.295 0.000 0.900 534 Q HN 0.496 nan 8.270 nan 0.000 0.436 535 I N 0.169 120.833 120.570 0.157 0.000 2.118 535 I HA -0.297 3.875 4.170 0.003 0.000 0.241 535 I C 1.857 177.873 176.117 -0.168 0.000 1.070 535 I CA 1.526 62.818 61.300 -0.014 0.000 1.327 535 I CB -0.215 37.636 38.000 -0.249 0.000 1.034 535 I HN 0.135 nan 8.210 nan 0.000 0.405 536 F N 0.585 120.516 119.950 -0.032 0.000 2.259 536 F HA -0.145 4.384 4.527 0.004 0.000 0.298 536 F C 2.549 178.256 175.800 -0.156 0.000 1.088 536 F CA 1.201 59.181 58.000 -0.034 0.000 1.358 536 F CB -0.408 38.616 39.000 0.041 0.000 1.040 536 F HN 0.091 nan 8.300 nan 0.000 0.505 537 E N -0.096 119.872 120.200 -0.387 0.000 2.058 537 E HA -0.281 4.071 4.350 0.003 0.000 0.194 537 E C 2.326 178.970 176.600 0.072 0.000 0.997 537 E CA 1.950 58.066 56.400 -0.474 0.000 0.801 537 E CB -0.215 29.252 29.700 -0.387 0.000 0.746 537 E HN 0.357 nan 8.360 nan 0.000 0.450 538 T N -0.363 114.225 114.554 0.056 0.000 2.904 538 T HA -0.068 4.284 4.350 0.003 0.000 0.267 538 T C 1.976 176.536 174.700 -0.233 0.000 1.059 538 T CA 1.023 63.032 62.100 -0.152 0.000 1.137 538 T CB -0.259 68.740 68.868 0.220 0.000 0.879 538 T HN 0.171 nan 8.240 nan 0.000 0.467 539 I N -0.363 120.135 120.570 -0.120 0.000 2.202 539 I HA -0.061 4.111 4.170 0.003 0.000 0.242 539 I C 2.382 178.511 176.117 0.021 0.000 1.091 539 I CA 1.482 62.703 61.300 -0.132 0.000 1.368 539 I CB -0.542 37.366 38.000 -0.153 0.000 1.058 539 I HN 0.246 nan 8.210 nan 0.000 0.410 540 Y N 1.381 121.723 120.300 0.070 0.000 2.114 540 Y HA -0.329 4.223 4.550 0.003 0.000 0.284 540 Y C 2.867 178.896 175.900 0.215 0.000 1.143 540 Y CA 1.897 60.138 58.100 0.235 0.000 1.135 540 Y CB -0.990 37.765 38.460 0.491 0.000 0.980 540 Y HN 0.210 nan 8.280 nan 0.000 0.499 541 H N 0.164 119.235 119.070 0.001 0.000 2.319 541 H HA -0.193 4.365 4.556 0.003 0.000 0.297 541 H C 2.105 177.121 175.328 -0.519 0.000 1.097 541 H CA 1.848 57.577 56.048 -0.531 0.000 1.285 541 H CB -0.422 28.740 29.762 -1.000 0.000 1.368 541 H HN 0.443 nan 8.280 nan 0.000 0.495 542 A N 0.771 123.223 122.820 -0.612 0.000 1.849 542 A HA -0.247 4.075 4.320 0.003 0.000 0.217 542 A C 2.870 180.161 177.584 -0.489 0.000 1.202 542 A CA 3.095 54.560 52.037 -0.954 0.000 0.629 542 A CB -1.290 17.036 19.000 -1.123 0.000 0.834 542 A HN 0.699 nan 8.150 nan 0.000 0.447 543 S N -0.959 114.555 115.700 -0.310 0.000 2.387 543 S HA -0.230 4.242 4.470 0.003 0.000 0.230 543 S C 1.914 176.424 174.600 -0.150 0.000 1.035 543 S CA 2.022 60.120 58.200 -0.169 0.000 1.014 543 S CB -0.506 62.667 63.200 -0.045 0.000 0.836 543 S HN 0.372 nan 8.310 nan 0.000 0.466 544 M N 1.547 121.019 119.600 -0.214 0.000 2.156 544 M HA 0.073 4.555 4.480 0.003 0.000 0.264 544 M C 2.460 178.636 176.300 -0.205 0.000 1.067 544 M CA 1.709 56.891 55.300 -0.198 0.000 1.131 544 M CB -1.360 31.067 32.600 -0.287 0.000 1.368 544 M HN 0.640 nan 8.290 nan 0.000 0.416 545 E N 0.369 120.380 120.200 -0.316 0.000 2.051 545 E HA -0.163 4.189 4.350 0.003 0.000 0.192 545 E C 1.920 178.430 176.600 -0.150 0.000 0.991 545 E CA 1.514 57.766 56.400 -0.247 0.000 0.799 545 E CB 0.053 29.587 29.700 -0.277 0.000 0.748 545 E HN 0.404 nan 8.360 nan 0.000 0.449 546 A N 0.339 123.061 122.820 -0.162 0.000 1.969 546 A HA -0.128 4.194 4.320 0.003 0.000 0.218 546 A C 2.294 179.831 177.584 -0.078 0.000 1.169 546 A CA 1.656 53.624 52.037 -0.113 0.000 0.635 546 A CB -0.586 18.336 19.000 -0.130 0.000 0.810 546 A HN 0.327 nan 8.150 nan 0.000 0.445 547 S N -1.686 113.971 115.700 -0.072 0.000 2.414 547 S HA -0.137 4.335 4.470 0.003 0.000 0.227 547 S C 1.956 176.534 174.600 -0.037 0.000 1.022 547 S CA 1.124 59.303 58.200 -0.035 0.000 0.958 547 S CB -0.741 62.454 63.200 -0.009 0.000 0.797 547 S HN 0.707 nan 8.310 nan 0.000 0.493 548 C N 1.644 120.912 119.300 -0.054 0.000 2.446 548 C HA 0.049 4.511 4.460 0.003 0.000 0.277 548 C C 2.388 177.337 174.990 -0.068 0.000 1.275 548 C CA 1.220 60.207 59.018 -0.052 0.000 1.727 548 C CB -1.423 26.295 27.740 -0.037 0.000 2.010 548 C HN 0.690 nan 8.230 nan 0.000 0.486 549 E N 0.468 120.625 120.200 -0.072 0.000 2.058 549 E HA -0.222 4.130 4.350 0.003 0.000 0.194 549 E C 2.063 178.618 176.600 -0.074 0.000 0.997 549 E CA 1.557 57.909 56.400 -0.081 0.000 0.801 549 E CB -0.267 29.394 29.700 -0.066 0.000 0.746 549 E HN 0.655 nan 8.360 nan 0.000 0.450 550 L N 0.511 121.702 121.223 -0.053 0.000 2.046 550 L HA -0.178 4.164 4.340 0.003 0.000 0.208 550 L C 2.554 179.399 176.870 -0.041 0.000 1.077 550 L CA 0.965 55.784 54.840 -0.035 0.000 0.747 550 L CB -0.458 41.592 42.059 -0.014 0.000 0.896 550 L HN 0.156 nan 8.230 nan 0.000 0.432 551 A N -0.613 122.174 122.820 -0.055 0.000 2.019 551 A HA -0.234 4.088 4.320 0.003 0.000 0.219 551 A C 2.217 179.748 177.584 -0.088 0.000 1.164 551 A CA 1.490 53.478 52.037 -0.081 0.000 0.644 551 A CB -0.340 18.579 19.000 -0.136 0.000 0.805 551 A HN 0.515 nan 8.150 nan 0.000 0.449 552 Q N -0.452 119.279 119.800 -0.114 0.000 2.096 552 Q HA -0.097 4.245 4.340 0.003 0.000 0.197 552 Q C 1.998 177.934 176.000 -0.107 0.000 0.964 552 Q CA 1.450 57.153 55.803 -0.168 0.000 0.838 552 Q CB -0.134 28.416 28.738 -0.314 0.000 0.906 552 Q HN 0.663 nan 8.270 nan 0.000 0.444 553 K N 0.463 120.815 120.400 -0.080 0.000 2.026 553 K HA -0.121 4.201 4.320 0.003 0.000 0.208 553 K C 0.929 177.511 176.600 -0.031 0.000 1.048 553 K CA 1.354 57.612 56.287 -0.049 0.000 0.929 553 K CB 0.145 32.624 32.500 -0.034 0.000 0.713 553 K HN 0.123 nan 8.250 nan 0.000 0.439 554 D N -1.061 119.322 120.400 -0.027 0.000 2.433 554 D HA 0.152 4.794 4.640 0.003 0.000 0.211 554 D C 0.284 176.576 176.300 -0.013 0.000 1.114 554 D CA 0.461 54.454 54.000 -0.011 0.000 0.837 554 D CB 1.167 41.968 40.800 0.003 0.000 0.984 554 D HN 0.293 nan 8.370 nan 0.000 0.505 555 G N 2.073 110.854 108.800 -0.031 0.000 2.692 555 G HA2 -0.144 3.818 3.960 0.003 0.000 0.686 555 G HA3 -0.144 3.818 3.960 0.003 0.000 0.686 555 G C -2.950 171.909 174.900 -0.068 0.000 1.243 555 G CA -1.174 43.901 45.100 -0.042 0.000 0.782 555 G HN -0.114 nan 8.290 nan 0.000 0.625 556 P HA 0.405 nan 4.420 nan 0.000 0.273 556 P C 0.161 177.416 177.300 -0.075 0.000 1.250 556 P CA -0.332 62.628 63.100 -0.234 0.000 0.793 556 P CB 0.142 31.536 31.700 -0.510 0.000 1.011 557 Y N -1.533 118.779 120.300 0.019 0.000 2.457 557 Y HA 0.154 4.706 4.550 0.003 0.000 0.341 557 Y C 1.662 177.630 175.900 0.112 0.000 1.240 557 Y CA -0.262 57.883 58.100 0.074 0.000 1.437 557 Y CB -0.373 38.154 38.460 0.112 0.000 1.328 557 Y HN 0.459 nan 8.280 nan 0.000 0.588 558 E N 0.630 120.926 120.200 0.160 0.000 2.147 558 E HA -0.189 4.163 4.350 0.003 0.000 0.199 558 E C 1.065 177.696 176.600 0.052 0.000 1.005 558 E CA 2.048 58.491 56.400 0.071 0.000 0.810 558 E CB -0.183 29.551 29.700 0.057 0.000 0.736 558 E HN 0.852 nan 8.360 nan 0.000 0.460 559 T N -2.220 112.428 114.554 0.157 0.000 3.243 559 T HA 0.133 4.485 4.350 0.003 0.000 0.264 559 T C 0.898 175.563 174.700 -0.059 0.000 1.000 559 T CA -0.544 61.653 62.100 0.162 0.000 0.901 559 T CB -0.344 68.774 68.868 0.415 0.000 1.083 559 T HN 0.086 nan 8.240 nan 0.000 0.559 560 F N 2.126 121.623 119.950 -0.754 0.000 2.102 560 F HA 0.134 4.663 4.527 0.003 0.000 0.298 560 F C 1.210 176.853 175.800 -0.262 0.000 1.105 560 F CA 0.697 58.214 58.000 -0.805 0.000 1.239 560 F CB -0.135 38.350 39.000 -0.858 0.000 0.991 560 F HN 0.182 nan 8.300 nan 0.000 0.474 561 Q N 0.172 119.874 119.800 -0.164 0.000 2.274 561 Q HA 0.264 4.606 4.340 0.003 0.000 0.280 561 Q C 0.942 176.826 176.000 -0.193 0.000 1.047 561 Q CA 0.803 56.498 55.803 -0.181 0.000 0.907 561 Q CB 0.489 29.207 28.738 -0.034 0.000 1.171 561 Q HN 0.674 nan 8.270 nan 0.000 0.381 562 G N 1.699 110.364 108.800 -0.225 0.000 2.213 562 G HA2 -0.303 3.658 3.960 0.003 0.000 0.236 562 G HA3 -0.303 3.658 3.960 0.003 0.000 0.236 562 G C 0.241 175.036 174.900 -0.175 0.000 0.991 562 G CA 0.166 45.174 45.100 -0.154 0.000 0.629 562 G HN 0.754 nan 8.290 nan 0.000 0.517 563 S N 0.762 116.300 115.700 -0.270 0.000 2.585 563 S HA 0.575 5.047 4.470 0.003 0.000 0.273 563 S C -0.768 173.707 174.600 -0.209 0.000 1.339 563 S CA -0.306 57.768 58.200 -0.209 0.000 1.028 563 S CB 2.039 65.128 63.200 -0.185 0.000 0.906 563 S HN 0.005 nan 8.310 nan 0.000 0.528 564 P HA -0.009 nan 4.420 nan 0.000 0.221 564 P C 1.352 178.601 177.300 -0.085 0.000 1.145 564 P CA 1.550 64.599 63.100 -0.084 0.000 0.795 564 P CB -0.193 31.479 31.700 -0.047 0.000 0.775 565 A N 0.290 123.058 122.820 -0.086 0.000 1.898 565 A HA -0.156 4.166 4.320 0.003 0.000 0.216 565 A C 2.384 179.914 177.584 -0.091 0.000 1.181 565 A CA 2.049 54.085 52.037 -0.001 0.000 0.620 565 A CB -1.589 17.528 19.000 0.195 0.000 0.819 565 A HN 0.329 nan 8.150 nan 0.000 0.442 566 S N -0.619 114.771 115.700 -0.516 0.000 2.440 566 S HA -0.174 4.298 4.470 0.003 0.000 0.238 566 S C 1.453 175.962 174.600 -0.151 0.000 1.010 566 S CA 1.403 59.285 58.200 -0.530 0.000 0.972 566 S CB -0.302 62.355 63.200 -0.905 0.000 0.774 566 S HN 0.569 nan 8.310 nan 0.000 0.501 567 Q N 0.378 120.102 119.800 -0.126 0.000 2.319 567 Q HA 0.311 4.653 4.340 0.003 0.000 0.202 567 Q C 1.451 177.442 176.000 -0.014 0.000 0.896 567 Q CA 0.623 56.392 55.803 -0.058 0.000 0.942 567 Q CB 0.249 28.948 28.738 -0.065 0.000 1.083 567 Q HN 0.796 nan 8.270 nan 0.000 0.510 568 G N 1.538 110.343 108.800 0.008 0.000 2.176 568 G HA2 -0.255 3.706 3.960 0.003 0.000 0.253 568 G HA3 -0.255 3.706 3.960 0.003 0.000 0.253 568 G C 0.178 175.082 174.900 0.006 0.000 0.979 568 G CA -0.122 44.999 45.100 0.035 0.000 0.641 568 G HN 0.353 nan 8.290 nan 0.000 0.530 569 I N 2.154 122.709 120.570 -0.024 0.000 2.281 569 I HA 0.395 4.567 4.170 0.003 0.000 0.293 569 I C 1.012 177.077 176.117 -0.088 0.000 1.085 569 I CA -0.474 60.792 61.300 -0.057 0.000 1.257 569 I CB 0.406 38.378 38.000 -0.046 0.000 1.430 569 I HN 0.025 nan 8.210 nan 0.000 0.489 570 L N 4.392 125.491 121.223 -0.205 0.000 2.472 570 L HA 0.272 4.614 4.340 0.003 0.000 0.256 570 L C 1.517 178.165 176.870 -0.370 0.000 1.111 570 L CA -0.569 54.101 54.840 -0.284 0.000 0.800 570 L CB 0.555 42.315 42.059 -0.499 0.000 1.286 570 L HN 0.429 nan 8.230 nan 0.000 0.479 571 Q N 0.832 120.483 119.800 -0.247 0.000 2.030 571 Q HA -0.222 4.120 4.340 0.003 0.000 0.204 571 Q C 1.732 177.633 176.000 -0.165 0.000 0.986 571 Q CA 2.416 58.122 55.803 -0.163 0.000 0.843 571 Q CB -0.434 28.155 28.738 -0.248 0.000 0.904 571 Q HN 0.568 nan 8.270 nan 0.000 0.420 572 F N -0.614 119.284 119.950 -0.087 0.000 2.216 572 F HA -0.049 4.480 4.527 0.003 0.000 0.300 572 F C 1.609 177.403 175.800 -0.010 0.000 1.085 572 F CA 1.106 58.991 58.000 -0.191 0.000 1.326 572 F CB -0.760 38.006 39.000 -0.390 0.000 1.027 572 F HN 0.015 nan 8.300 nan 0.000 0.497 573 D N 1.248 121.583 120.400 -0.108 0.000 2.123 573 D HA -0.182 4.460 4.640 0.003 0.000 0.196 573 D C 2.135 178.463 176.300 0.047 0.000 0.992 573 D CA 1.761 55.771 54.000 0.018 0.000 0.833 573 D CB -0.343 40.402 40.800 -0.092 0.000 0.954 573 D HN 0.428 nan 8.370 nan 0.000 0.455 574 M N -1.043 118.582 119.600 0.041 0.000 2.630 574 M HA -0.091 4.391 4.480 0.003 0.000 0.254 574 M C 0.830 177.122 176.300 -0.013 0.000 1.092 574 M CA 0.667 55.973 55.300 0.011 0.000 1.087 574 M CB 0.012 32.597 32.600 -0.025 0.000 1.453 574 M HN 0.074 nan 8.290 nan 0.000 0.509 575 W N 0.259 121.504 121.300 -0.093 0.000 3.316 575 W HA 0.156 4.818 4.660 0.003 0.000 0.327 575 W C 0.010 176.489 176.519 -0.065 0.000 1.232 575 W CA -0.575 56.716 57.345 -0.090 0.000 1.805 575 W CB -0.194 29.199 29.460 -0.112 0.000 1.090 575 W HN 0.202 nan 8.180 nan 0.000 0.654 576 D N 1.149 121.632 120.400 0.138 0.000 2.689 576 D HA -0.204 4.438 4.640 0.003 0.000 0.237 576 D C -0.099 176.257 176.300 0.094 0.000 1.148 576 D CA 0.972 55.022 54.000 0.084 0.000 0.656 576 D CB -1.144 39.674 40.800 0.030 0.000 1.050 576 D HN 0.349 nan 8.370 nan 0.000 0.426 577 Q N -0.397 119.479 119.800 0.126 0.000 2.413 577 Q HA 0.464 4.806 4.340 0.003 0.000 0.276 577 Q C -0.243 175.797 176.000 0.067 0.000 1.099 577 Q CA -1.008 54.837 55.803 0.070 0.000 0.814 577 Q CB 1.979 30.728 28.738 0.018 0.000 1.379 577 Q HN -0.176 nan 8.270 nan 0.000 0.436 578 K N 2.549 122.944 120.400 -0.008 0.000 2.237 578 K HA 0.317 4.639 4.320 0.003 0.000 0.270 578 K C -2.244 174.205 176.600 -0.251 0.000 1.015 578 K CA -1.732 54.506 56.287 -0.082 0.000 0.949 578 K CB 0.214 32.685 32.500 -0.048 0.000 0.976 578 K HN 0.355 nan 8.250 nan 0.000 0.472 579 P HA -0.008 nan 4.420 nan 0.000 0.274 579 P C 0.275 177.535 177.300 -0.067 0.000 1.246 579 P CA -0.188 62.542 63.100 -0.618 0.000 0.795 579 P CB 0.388 31.319 31.700 -1.283 0.000 1.006 580 Y N 1.421 121.766 120.300 0.076 0.000 2.256 580 Y HA -0.095 4.457 4.550 0.003 0.000 0.288 580 Y C 1.670 177.590 175.900 0.034 0.000 1.155 580 Y CA 2.296 60.436 58.100 0.067 0.000 1.203 580 Y CB -0.571 37.943 38.460 0.090 0.000 0.980 580 Y HN 0.680 nan 8.280 nan 0.000 0.530 581 G N 0.103 108.898 108.800 -0.009 0.000 2.134 581 G HA2 -0.354 3.608 3.960 0.003 0.000 0.209 581 G HA3 -0.354 3.608 3.960 0.003 0.000 0.209 581 G C 0.889 175.664 174.900 -0.209 0.000 0.993 581 G CA 0.352 45.398 45.100 -0.090 0.000 0.669 581 G HN 0.515 nan 8.290 nan 0.000 0.519 582 M N -1.159 118.369 119.600 -0.120 0.000 2.279 582 M HA 0.236 4.718 4.480 0.003 0.000 0.264 582 M C 0.658 176.538 176.300 -0.700 0.000 1.062 582 M CA 1.302 56.390 55.300 -0.354 0.000 1.099 582 M CB 0.020 32.463 32.600 -0.262 0.000 1.394 582 M HN 0.332 nan 8.290 nan 0.000 0.426 583 W N -0.190 120.907 121.300 -0.337 0.000 2.781 583 W HA 0.289 4.950 4.660 0.003 0.000 0.345 583 W C -0.633 175.532 176.519 -0.588 0.000 1.085 583 W CA -0.867 56.059 57.345 -0.697 0.000 1.198 583 W CB 0.535 29.178 29.460 -1.360 0.000 1.423 583 W HN -0.120 nan 8.180 nan 0.000 0.532 584 D N 1.124 121.376 120.400 -0.247 0.000 2.416 584 D HA 0.030 4.672 4.640 0.003 0.000 0.240 584 D C 0.243 176.600 176.300 0.094 0.000 1.250 584 D CA -0.039 53.940 54.000 -0.036 0.000 0.967 584 D CB 0.151 40.950 40.800 -0.001 0.000 1.059 584 D HN 0.362 nan 8.370 nan 0.000 0.512 585 W N 1.962 123.413 121.300 0.252 0.000 2.518 585 W HA -0.020 4.643 4.660 0.004 0.000 0.273 585 W C 1.756 178.411 176.519 0.227 0.000 1.247 585 W CA -0.112 57.422 57.345 0.315 0.000 1.288 585 W CB 0.267 29.929 29.460 0.337 0.000 1.107 585 W HN 0.318 nan 8.180 nan 0.000 0.586 586 D N -0.390 120.225 120.400 0.357 0.000 2.097 586 D HA -0.142 4.500 4.640 0.003 0.000 0.197 586 D C 2.039 178.453 176.300 0.190 0.000 0.984 586 D CA 2.002 56.148 54.000 0.244 0.000 0.826 586 D CB -0.955 39.945 40.800 0.166 0.000 0.973 586 D HN 0.047 nan 8.370 nan 0.000 0.460 587 T N 1.644 116.295 114.554 0.161 0.000 2.708 587 T HA -0.144 4.208 4.350 0.003 0.000 0.266 587 T C 1.935 176.709 174.700 0.124 0.000 1.037 587 T CA 0.547 62.721 62.100 0.122 0.000 1.146 587 T CB -0.396 68.531 68.868 0.098 0.000 0.865 587 T HN 0.007 nan 8.240 nan 0.000 0.435 588 L N 1.461 122.769 121.223 0.143 0.000 2.012 588 L HA -0.032 4.310 4.340 0.003 0.000 0.210 588 L C 2.525 179.476 176.870 0.134 0.000 1.073 588 L CA 1.798 56.687 54.840 0.082 0.000 0.748 588 L CB -0.663 41.366 42.059 -0.050 0.000 0.891 588 L HN 0.092 nan 8.230 nan 0.000 0.431 589 R N -0.369 120.261 120.500 0.217 0.000 2.081 589 R HA -0.225 4.117 4.340 0.003 0.000 0.235 589 R C 2.465 178.848 176.300 0.139 0.000 1.131 589 R CA 1.854 58.073 56.100 0.198 0.000 0.960 589 R CB -0.302 30.139 30.300 0.235 0.000 0.856 589 R HN 0.417 nan 8.270 nan 0.000 0.436 590 K N 0.219 120.692 120.400 0.123 0.000 2.074 590 K HA -0.198 4.124 4.320 0.003 0.000 0.209 590 K C 1.178 177.814 176.600 0.061 0.000 1.048 590 K CA 2.160 58.496 56.287 0.083 0.000 0.926 590 K CB -0.089 32.458 32.500 0.078 0.000 0.713 590 K HN 0.215 nan 8.250 nan 0.000 0.444 591 D N 0.924 121.374 120.400 0.083 0.000 2.103 591 D HA -0.119 4.523 4.640 0.003 0.000 0.199 591 D C 2.109 178.465 176.300 0.093 0.000 0.978 591 D CA 0.897 54.960 54.000 0.104 0.000 0.829 591 D CB -0.124 40.758 40.800 0.136 0.000 0.981 591 D HN 0.202 nan 8.370 nan 0.000 0.464 592 I N 1.250 121.880 120.570 0.100 0.000 2.091 592 I HA -0.288 3.883 4.170 0.003 0.000 0.239 592 I C 2.587 178.814 176.117 0.185 0.000 1.061 592 I CA 1.213 62.591 61.300 0.129 0.000 1.317 592 I CB -1.099 37.015 38.000 0.190 0.000 1.031 592 I HN 0.070 nan 8.210 nan 0.000 0.401 593 M N 0.231 119.934 119.600 0.172 0.000 2.144 593 M HA -0.260 4.222 4.480 0.003 0.000 0.260 593 M C 2.271 178.622 176.300 0.085 0.000 1.067 593 M CA 2.001 57.396 55.300 0.159 0.000 1.095 593 M CB -0.535 32.118 32.600 0.089 0.000 1.365 593 M HN 0.162 nan 8.290 nan 0.000 0.406 594 K N -0.031 120.348 120.400 -0.036 0.000 2.044 594 K HA -0.066 4.256 4.320 0.003 0.000 0.204 594 K C 1.248 177.678 176.600 -0.284 0.000 1.045 594 K CA 1.669 57.823 56.287 -0.222 0.000 0.951 594 K CB -0.157 32.100 32.500 -0.405 0.000 0.738 594 K HN 0.421 nan 8.250 nan 0.000 0.443 595 H N -1.070 117.976 119.070 -0.039 0.000 2.705 595 H HA 0.372 4.930 4.556 0.003 0.000 0.269 595 H C 0.377 175.533 175.328 -0.287 0.000 0.998 595 H CA 0.015 55.995 56.048 -0.113 0.000 1.193 595 H CB 0.987 30.698 29.762 -0.086 0.000 1.485 595 H HN 0.464 nan 8.280 nan 0.000 0.521 596 G N 0.675 109.252 108.800 -0.372 0.000 2.796 596 G HA2 -0.153 3.809 3.960 0.003 0.000 0.571 596 G HA3 -0.153 3.809 3.960 0.003 0.000 0.571 596 G C -0.510 174.053 174.900 -0.562 0.000 1.370 596 G CA -0.450 43.958 45.100 -1.153 0.000 0.856 596 G HN 0.547 nan 8.290 nan 0.000 0.538 597 V N -2.997 116.589 119.914 -0.546 0.000 2.960 597 V HA 0.886 5.008 4.120 0.003 0.000 0.315 597 V C 1.344 177.457 176.094 0.031 0.000 1.087 597 V CA -0.188 62.066 62.300 -0.078 0.000 0.982 597 V CB 1.774 33.680 31.823 0.139 0.000 1.039 597 V HN 1.073 nan 8.190 nan 0.000 0.437 598 R N 1.400 121.941 120.500 0.070 0.000 2.189 598 R HA 0.158 4.500 4.340 0.003 0.000 0.218 598 R C 0.133 176.555 176.300 0.202 0.000 1.074 598 R CA 1.030 57.203 56.100 0.122 0.000 0.991 598 R CB -0.708 29.622 30.300 0.050 0.000 0.883 598 R HN 0.939 nan 8.270 nan 0.000 0.457 599 N N -1.343 117.442 118.700 0.141 0.000 2.346 599 N HA 0.094 4.836 4.740 0.003 0.000 0.289 599 N C 0.154 175.502 175.510 -0.271 0.000 1.027 599 N CA 0.060 53.074 53.050 -0.059 0.000 0.864 599 N CB 2.128 40.605 38.487 -0.016 0.000 1.370 599 N HN -0.030 nan 8.380 nan 0.000 0.481 600 S N 1.858 117.084 115.700 -0.789 0.000 2.382 600 S HA -0.020 4.452 4.470 0.003 0.000 0.228 600 S C 0.443 174.928 174.600 -0.192 0.000 1.027 600 S CA 0.778 58.496 58.200 -0.804 0.000 0.991 600 S CB -0.256 62.500 63.200 -0.741 0.000 0.823 600 S HN 0.465 nan 8.310 nan 0.000 0.469 601 L N -0.462 120.692 121.223 -0.114 0.000 2.415 601 L HA 0.521 4.863 4.340 0.003 0.000 0.256 601 L C 0.570 177.456 176.870 0.027 0.000 1.010 601 L CA -0.090 54.749 54.840 -0.002 0.000 0.826 601 L CB 2.375 44.427 42.059 -0.011 0.000 1.405 601 L HN 0.230 nan 8.230 nan 0.000 0.410 602 T N -3.686 110.916 114.554 0.081 0.000 3.074 602 T HA 0.365 4.717 4.350 0.003 0.000 0.258 602 T C 0.145 174.899 174.700 0.090 0.000 0.891 602 T CA -0.154 61.999 62.100 0.088 0.000 0.867 602 T CB 0.503 69.452 68.868 0.135 0.000 1.261 602 T HN 0.227 nan 8.240 nan 0.000 0.537 603 M N 1.892 121.547 119.600 0.091 0.000 2.253 603 M HA 0.778 5.260 4.480 0.003 0.000 0.314 603 M C -1.157 175.176 176.300 0.054 0.000 1.019 603 M CA -0.661 54.687 55.300 0.080 0.000 0.932 603 M CB 1.504 34.146 32.600 0.070 0.000 1.606 603 M HN 0.323 nan 8.290 nan 0.000 0.430 604 A N 4.515 127.380 122.820 0.075 0.000 3.124 604 A HA 0.608 4.930 4.320 0.003 0.000 0.295 604 A C -2.774 174.893 177.584 0.139 0.000 1.199 604 A CA -1.061 51.026 52.037 0.083 0.000 0.845 604 A CB 0.312 19.344 19.000 0.053 0.000 1.381 604 A HN 0.450 nan 8.150 nan 0.000 0.537 605 P HA 0.111 nan 4.420 nan 0.000 0.258 605 P C 0.331 177.882 177.300 0.417 0.000 1.187 605 P CA 0.619 63.935 63.100 0.360 0.000 0.767 605 P CB 0.310 32.262 31.700 0.419 0.000 0.770 606 M N 5.206 124.966 119.600 0.267 0.000 2.792 606 M HA 0.523 5.005 4.480 0.003 0.000 0.294 606 M C -2.203 174.140 176.300 0.072 0.000 1.215 606 M CA -2.655 52.728 55.300 0.138 0.000 0.883 606 M CB -0.231 32.412 32.600 0.071 0.000 1.620 606 M HN -0.092 nan 8.290 nan 0.000 0.511 607 P HA -0.034 nan 4.420 nan 0.000 0.221 607 P C 0.263 177.558 177.300 -0.009 0.000 1.150 607 P CA 2.717 65.812 63.100 -0.009 0.000 0.800 607 P CB -0.279 31.469 31.700 0.081 0.000 0.787 608 T N -4.576 109.995 114.554 0.027 0.000 4.093 608 T HA -0.313 4.039 4.350 0.003 0.000 0.334 608 T C 1.126 175.855 174.700 0.049 0.000 0.773 608 T CA 0.620 62.745 62.100 0.041 0.000 1.900 608 T CB -2.353 66.540 68.868 0.042 0.000 1.911 608 T HN 0.284 nan 8.240 nan 0.000 0.844 609 A N 1.499 124.356 122.820 0.062 0.000 1.873 609 A HA -0.024 4.298 4.320 0.003 0.000 0.218 609 A C 2.625 180.257 177.584 0.081 0.000 1.193 609 A CA 2.518 54.597 52.037 0.070 0.000 0.629 609 A CB -1.066 17.986 19.000 0.088 0.000 0.826 609 A HN 1.240 nan 8.150 nan 0.000 0.447 610 S N -0.598 115.163 115.700 0.103 0.000 2.439 610 S HA -0.071 4.401 4.470 0.003 0.000 0.224 610 S C 1.923 176.547 174.600 0.040 0.000 1.029 610 S CA 1.335 59.606 58.200 0.118 0.000 0.946 610 S CB -0.709 62.633 63.200 0.236 0.000 0.797 610 S HN 0.842 nan 8.310 nan 0.000 0.504 611 T N 1.468 116.036 114.554 0.022 0.000 3.035 611 T HA -0.027 4.325 4.350 0.003 0.000 0.268 611 T C 1.923 176.626 174.700 0.005 0.000 1.109 611 T CA 1.084 63.163 62.100 -0.035 0.000 1.119 611 T CB -0.566 68.295 68.868 -0.012 0.000 0.900 611 T HN 0.502 nan 8.240 nan 0.000 0.503 612 S N 1.443 117.170 115.700 0.044 0.000 2.428 612 S HA -0.077 4.395 4.470 0.003 0.000 0.230 612 S C 2.108 176.745 174.600 0.062 0.000 1.014 612 S CA 0.336 58.582 58.200 0.078 0.000 0.957 612 S CB -0.453 62.802 63.200 0.092 0.000 0.784 612 S HN 0.588 nan 8.310 nan 0.000 0.499 613 Q N 0.828 120.660 119.800 0.053 0.000 2.123 613 Q HA 0.143 4.485 4.340 0.003 0.000 0.199 613 Q C 2.117 178.130 176.000 0.022 0.000 0.966 613 Q CA 1.297 57.145 55.803 0.076 0.000 0.845 613 Q CB -0.466 28.331 28.738 0.098 0.000 0.907 613 Q HN 0.582 nan 8.270 nan 0.000 0.439 614 I N 0.825 121.358 120.570 -0.063 0.000 2.091 614 I HA -0.332 3.840 4.170 0.003 0.000 0.239 614 I C 2.021 178.151 176.117 0.021 0.000 1.061 614 I CA 1.406 62.640 61.300 -0.109 0.000 1.317 614 I CB -0.354 37.487 38.000 -0.265 0.000 1.031 614 I HN 0.205 nan 8.210 nan 0.000 0.401 615 L N 0.441 121.643 121.223 -0.035 0.000 2.376 615 L HA 0.073 4.415 4.340 0.003 0.000 0.219 615 L C 1.453 178.059 176.870 -0.440 0.000 1.133 615 L CA 0.651 55.396 54.840 -0.159 0.000 0.816 615 L CB -0.937 41.069 42.059 -0.087 0.000 0.933 615 L HN 0.608 nan 8.230 nan 0.000 0.449 616 G N -0.319 108.341 108.800 -0.233 0.000 2.225 616 G HA2 -0.294 3.668 3.960 0.003 0.000 0.264 616 G HA3 -0.294 3.668 3.960 0.003 0.000 0.264 616 G C -0.254 174.488 174.900 -0.263 0.000 1.060 616 G CA -0.166 44.826 45.100 -0.180 0.000 0.833 616 G HN 0.371 nan 8.290 nan 0.000 0.498 617 Y N -0.807 119.574 120.300 0.135 0.000 2.621 617 Y HA 0.512 5.064 4.550 0.003 0.000 0.334 617 Y C 0.816 176.775 175.900 0.099 0.000 1.074 617 Y CA -1.269 56.909 58.100 0.130 0.000 1.149 617 Y CB 0.980 39.495 38.460 0.092 0.000 1.302 617 Y HN 0.129 nan 8.280 nan 0.000 0.501 618 N N 1.276 120.138 118.700 0.270 0.000 2.492 618 N HA -0.036 4.706 4.740 0.003 0.000 0.260 618 N C -0.868 174.689 175.510 0.077 0.000 1.215 618 N CA -0.107 53.010 53.050 0.113 0.000 0.923 618 N CB 0.588 39.127 38.487 0.086 0.000 1.092 618 N HN 0.694 nan 8.380 nan 0.000 0.448 619 E N 1.600 121.807 120.200 0.012 0.000 2.708 619 E HA -0.115 4.237 4.350 0.003 0.000 0.260 619 E C 1.337 177.883 176.600 -0.090 0.000 0.937 619 E CA 0.537 56.919 56.400 -0.029 0.000 0.953 619 E CB -0.058 29.608 29.700 -0.055 0.000 0.915 619 E HN 0.742 nan 8.360 nan 0.000 0.487 620 C N 2.612 121.848 119.300 -0.106 0.000 1.350 620 C HA -0.351 4.111 4.460 0.003 0.000 0.105 620 C C 1.356 176.299 174.990 -0.077 0.000 0.627 620 C CA 1.358 60.264 59.018 -0.187 0.000 1.058 620 C CB -1.749 25.623 27.740 -0.615 0.000 2.903 620 C HN 0.913 nan 8.230 nan 0.000 0.992 621 F N 3.262 123.327 119.950 0.192 0.000 2.708 621 F HA 0.538 5.067 4.527 0.003 0.000 0.300 621 F C 0.440 176.417 175.800 0.296 0.000 1.118 621 F CA -0.050 58.089 58.000 0.232 0.000 1.307 621 F CB -0.893 38.277 39.000 0.283 0.000 0.986 621 F HN 0.921 nan 8.300 nan 0.000 0.522 622 E N 1.357 121.627 120.200 0.117 0.000 2.212 622 E HA 0.521 4.873 4.350 0.003 0.000 0.270 622 E C -2.978 173.575 176.600 -0.077 0.000 0.956 622 E CA -2.517 53.933 56.400 0.083 0.000 0.825 622 E CB 1.581 31.269 29.700 -0.020 0.000 1.167 622 E HN -0.083 nan 8.360 nan 0.000 0.400 623 P HA -0.051 nan 4.420 nan 0.000 0.270 623 P C -0.258 176.850 177.300 -0.320 0.000 1.223 623 P CA -0.413 62.364 63.100 -0.538 0.000 0.785 623 P CB 0.459 31.590 31.700 -0.949 0.000 0.923 624 V N 2.003 121.831 119.914 -0.144 0.000 2.752 624 V HA -0.107 4.014 4.120 0.003 0.000 0.306 624 V C 1.907 177.859 176.094 -0.236 0.000 1.099 624 V CA 1.677 63.907 62.300 -0.117 0.000 1.240 624 V CB 0.031 31.870 31.823 0.027 0.000 0.887 624 V HN 0.834 nan 8.190 nan 0.000 0.499 625 T N 0.653 115.065 114.554 -0.237 0.000 3.009 625 T HA 0.096 4.447 4.350 0.003 0.000 0.258 625 T C 0.724 175.433 174.700 0.015 0.000 1.063 625 T CA 0.690 62.642 62.100 -0.247 0.000 1.139 625 T CB 0.248 69.011 68.868 -0.175 0.000 0.890 625 T HN 0.680 nan 8.240 nan 0.000 0.471 626 S N -0.203 115.502 115.700 0.008 0.000 2.533 626 S HA 0.392 4.864 4.470 0.003 0.000 0.271 626 S C -0.538 174.080 174.600 0.030 0.000 1.143 626 S CA -0.874 57.365 58.200 0.065 0.000 0.891 626 S CB 1.289 64.532 63.200 0.072 0.000 1.105 626 S HN 0.151 nan 8.310 nan 0.000 0.468 627 N N 2.497 121.236 118.700 0.065 0.000 2.461 627 N HA 0.148 4.890 4.740 0.003 0.000 0.188 627 N C -0.491 175.050 175.510 0.051 0.000 1.134 627 N CA 0.488 53.565 53.050 0.045 0.000 0.878 627 N CB 0.048 38.557 38.487 0.037 0.000 0.972 627 N HN 0.537 nan 8.380 nan 0.000 0.456 628 M N 0.465 120.108 119.600 0.071 0.000 1.987 628 M HA 0.141 4.623 4.480 0.003 0.000 0.298 628 M C 0.182 176.546 176.300 0.108 0.000 0.892 628 M CA -0.669 54.693 55.300 0.102 0.000 0.885 628 M CB 0.615 33.277 32.600 0.103 0.000 1.469 628 M HN -0.029 nan 8.290 nan 0.000 0.389 629 Y N 1.118 121.398 120.300 -0.034 0.000 2.065 629 Y HA -0.329 4.223 4.550 0.003 0.000 0.251 629 Y C 1.621 177.501 175.900 -0.033 0.000 1.258 629 Y CA 2.137 60.200 58.100 -0.061 0.000 1.070 629 Y CB -0.120 38.243 38.460 -0.161 0.000 0.880 629 Y HN 0.566 nan 8.280 nan 0.000 0.509 639 Q N 2.590 122.513 119.800 0.206 0.000 2.275 639 Q HA 0.757 5.099 4.340 0.003 0.000 0.266 639 Q C -1.463 174.590 176.000 0.088 0.000 1.002 639 Q CA -0.689 55.180 55.803 0.111 0.000 0.761 639 Q CB 2.619 31.404 28.738 0.080 0.000 1.255 639 Q HN 0.331 nan 8.270 nan 0.000 0.446 640 V N 1.938 121.857 119.914 0.009 0.000 2.555 640 V HA 0.687 4.809 4.120 0.003 0.000 0.302 640 V C -0.621 175.500 176.094 0.045 0.000 1.038 640 V CA -1.025 61.227 62.300 -0.080 0.000 0.887 640 V CB 2.053 33.555 31.823 -0.536 0.000 0.991 640 V HN 0.651 nan 8.190 nan 0.000 0.434 641 V N 4.383 124.306 119.914 0.014 0.000 2.472 641 V HA 0.509 4.631 4.120 0.003 0.000 0.290 641 V C 0.402 176.466 176.094 -0.050 0.000 1.037 641 V CA -0.702 61.601 62.300 0.004 0.000 0.908 641 V CB 1.605 33.407 31.823 -0.035 0.000 0.985 641 V HN 0.994 nan 8.190 nan 0.000 0.454 642 N N 7.017 125.699 118.700 -0.030 0.000 2.142 642 N HA -0.009 4.732 4.740 0.003 0.000 0.282 642 N C -1.783 173.575 175.510 -0.254 0.000 1.342 642 N CA -0.367 52.623 53.050 -0.100 0.000 0.831 642 N CB 1.213 39.639 38.487 -0.102 0.000 1.083 642 N HN 0.525 nan 8.380 nan 0.000 0.492 643 P HA -0.104 nan 4.420 nan 0.000 0.217 643 P C 0.568 177.691 177.300 -0.294 0.000 1.150 643 P CA 1.525 64.408 63.100 -0.362 0.000 0.832 643 P CB -0.071 31.383 31.700 -0.409 0.000 0.787 644 Y N -1.513 118.795 120.300 0.013 0.000 2.373 644 Y HA -0.035 4.516 4.550 0.003 0.000 0.293 644 Y C 2.271 178.129 175.900 -0.069 0.000 1.129 644 Y CA -0.325 57.815 58.100 0.066 0.000 1.226 644 Y CB -0.992 37.608 38.460 0.234 0.000 1.000 644 Y HN -0.101 nan 8.280 nan 0.000 0.549 645 L N 0.166 121.193 121.223 -0.327 0.000 1.988 645 L HA -0.139 4.203 4.340 0.003 0.000 0.207 645 L C 2.250 178.882 176.870 -0.396 0.000 1.071 645 L CA 1.299 55.715 54.840 -0.706 0.000 0.744 645 L CB -1.080 40.477 42.059 -0.837 0.000 0.893 645 L HN 0.226 nan 8.230 nan 0.000 0.433 646 L N 0.219 121.192 121.223 -0.417 0.000 1.991 646 L HA -0.305 4.037 4.340 0.003 0.000 0.221 646 L C 2.797 179.444 176.870 -0.371 0.000 1.079 646 L CA 2.546 57.062 54.840 -0.540 0.000 0.778 646 L CB -0.966 40.796 42.059 -0.495 0.000 0.893 646 L HN 0.489 nan 8.230 nan 0.000 0.437 647 R N -0.067 120.313 120.500 -0.199 0.000 2.112 647 R HA -0.224 4.118 4.340 0.003 0.000 0.242 647 R C 1.956 178.229 176.300 -0.046 0.000 1.137 647 R CA 2.317 58.366 56.100 -0.085 0.000 0.944 647 R CB -1.063 29.242 30.300 0.010 0.000 0.857 647 R HN 0.531 nan 8.270 nan 0.000 0.435 648 D N -0.085 120.308 120.400 -0.012 0.000 2.117 648 D HA -0.135 4.507 4.640 0.003 0.000 0.197 648 D C 1.970 178.286 176.300 0.027 0.000 0.987 648 D CA 1.537 55.566 54.000 0.048 0.000 0.829 648 D CB -0.182 40.700 40.800 0.138 0.000 0.961 648 D HN 0.298 nan 8.370 nan 0.000 0.460 649 L N 0.104 121.308 121.223 -0.031 0.000 2.017 649 L HA -0.143 4.198 4.340 0.003 0.000 0.208 649 L C 2.532 179.455 176.870 0.088 0.000 1.073 649 L CA 0.627 55.491 54.840 0.040 0.000 0.745 649 L CB -0.452 41.637 42.059 0.049 0.000 0.894 649 L HN -0.046 nan 8.230 nan 0.000 0.432 650 V N -0.204 119.722 119.914 0.019 0.000 2.261 650 V HA -0.291 3.831 4.120 0.003 0.000 0.246 650 V C 1.981 178.111 176.094 0.060 0.000 1.047 650 V CA 1.983 64.323 62.300 0.066 0.000 1.015 650 V CB -0.645 31.182 31.823 0.007 0.000 0.642 650 V HN 0.409 nan 8.190 nan 0.000 0.446 651 D N 0.030 120.453 120.400 0.038 0.000 2.280 651 D HA -0.160 4.482 4.640 0.003 0.000 0.206 651 D C 1.714 178.044 176.300 0.051 0.000 0.988 651 D CA 1.231 55.256 54.000 0.042 0.000 0.886 651 D CB -0.188 40.637 40.800 0.041 0.000 0.914 651 D HN 0.383 nan 8.370 nan 0.000 0.473 652 L N -1.659 119.602 121.223 0.063 0.000 2.616 652 L HA 0.239 4.581 4.340 0.003 0.000 0.229 652 L C 1.882 178.794 176.870 0.070 0.000 1.110 652 L CA 0.361 55.240 54.840 0.065 0.000 0.884 652 L CB 0.343 42.444 42.059 0.071 0.000 1.115 652 L HN 0.186 nan 8.230 nan 0.000 0.481 653 G N 1.601 110.451 108.800 0.084 0.000 2.458 653 G HA2 -0.386 3.576 3.960 0.003 0.000 0.237 653 G HA3 -0.386 3.576 3.960 0.003 0.000 0.237 653 G C 0.970 175.937 174.900 0.112 0.000 1.113 653 G CA 0.496 45.648 45.100 0.087 0.000 0.655 653 G HN 0.460 nan 8.290 nan 0.000 0.513 654 I N -1.620 119.016 120.570 0.110 0.000 3.330 654 I HA 0.167 4.339 4.170 0.003 0.000 0.298 654 I C 0.913 177.129 176.117 0.166 0.000 1.317 654 I CA 0.059 61.421 61.300 0.104 0.000 1.334 654 I CB -0.216 37.832 38.000 0.081 0.000 1.031 654 I HN 0.373 nan 8.210 nan 0.000 0.547 655 W N 5.153 126.453 121.300 0.001 0.000 2.317 655 W HA 0.214 4.876 4.660 0.003 0.000 0.327 655 W C -0.517 176.005 176.519 0.004 0.000 1.036 655 W CA -0.644 56.701 57.345 0.000 0.000 1.419 655 W CB 0.828 30.289 29.460 0.000 0.000 1.253 655 W HN 0.408 nan 8.180 nan 0.000 0.392 656 D N 2.610 122.717 120.400 -0.487 0.000 3.180 656 D HA 0.067 4.709 4.640 0.003 0.000 0.226 656 D C 0.383 176.294 176.300 -0.649 0.000 1.252 656 D CA 0.205 53.939 54.000 -0.444 0.000 1.287 656 D CB 0.274 40.945 40.800 -0.215 0.000 0.919 656 D HN 0.330 nan 8.370 nan 0.000 0.186 657 E N -0.488 119.453 120.200 -0.432 0.000 2.550 657 E HA 0.196 4.548 4.350 0.003 0.000 0.206 657 E C 1.808 178.251 176.600 -0.260 0.000 0.845 657 E CA 0.774 56.955 56.400 -0.365 0.000 1.461 657 E CB -0.086 29.489 29.700 -0.209 0.000 1.452 657 E HN 0.345 nan 8.360 nan 0.000 0.780 658 G N 1.166 109.852 108.800 -0.190 0.000 2.470 658 G HA2 -0.193 3.769 3.960 0.003 0.000 0.220 658 G HA3 -0.193 3.769 3.960 0.003 0.000 0.220 658 G C 1.426 176.279 174.900 -0.077 0.000 1.121 658 G CA 0.903 45.948 45.100 -0.093 0.000 0.766 658 G HN 0.190 nan 8.290 nan 0.000 0.553 659 M N -0.408 119.062 119.600 -0.217 0.000 2.325 659 M HA 0.123 4.605 4.480 0.003 0.000 0.265 659 M C 2.433 178.630 176.300 -0.172 0.000 1.094 659 M CA 0.694 55.887 55.300 -0.179 0.000 1.161 659 M CB -0.338 32.129 32.600 -0.222 0.000 1.358 659 M HN 0.095 nan 8.290 nan 0.000 0.446 660 K N 0.585 120.692 120.400 -0.488 0.000 2.097 660 K HA -0.168 4.153 4.320 0.003 0.000 0.205 660 K C 1.882 178.489 176.600 0.010 0.000 1.050 660 K CA 1.241 57.400 56.287 -0.213 0.000 0.938 660 K CB -0.149 32.172 32.500 -0.298 0.000 0.718 660 K HN 0.351 nan 8.250 nan 0.000 0.442 661 Q N -0.401 119.384 119.800 -0.024 0.000 2.137 661 Q HA -0.159 4.183 4.340 0.003 0.000 0.198 661 Q C 1.864 177.904 176.000 0.067 0.000 0.960 661 Q CA 1.041 56.853 55.803 0.015 0.000 0.847 661 Q CB -0.195 28.533 28.738 -0.017 0.000 0.915 661 Q HN 0.297 nan 8.270 nan 0.000 0.448 662 Y N 1.127 121.418 120.300 -0.015 0.000 2.224 662 Y HA -0.166 4.386 4.550 0.003 0.000 0.289 662 Y C 2.019 177.942 175.900 0.039 0.000 1.146 662 Y CA 1.245 59.351 58.100 0.011 0.000 1.182 662 Y CB -0.238 38.231 38.460 0.015 0.000 0.983 662 Y HN 0.080 nan 8.280 nan 0.000 0.524 663 L N -0.364 121.054 121.223 0.325 0.000 2.093 663 L HA -0.214 4.128 4.340 0.003 0.000 0.208 663 L C 2.223 179.177 176.870 0.139 0.000 1.085 663 L CA 1.589 56.581 54.840 0.255 0.000 0.755 663 L CB -0.484 41.729 42.059 0.256 0.000 0.904 663 L HN 0.277 nan 8.230 nan 0.000 0.435 664 I N -2.844 117.784 120.570 0.096 0.000 2.439 664 I HA -0.161 4.010 4.170 0.003 0.000 0.251 664 I C 2.378 178.492 176.117 -0.005 0.000 1.139 664 I CA 0.925 62.253 61.300 0.046 0.000 1.438 664 I CB -0.951 37.072 38.000 0.038 0.000 1.085 664 I HN 0.058 nan 8.210 nan 0.000 0.427 665 T N 0.282 114.807 114.554 -0.048 0.000 2.643 665 T HA -0.206 4.146 4.350 0.003 0.000 0.264 665 T C 1.753 176.374 174.700 -0.133 0.000 1.045 665 T CA 1.636 63.659 62.100 -0.129 0.000 1.155 665 T CB -0.206 68.509 68.868 -0.254 0.000 0.863 665 T HN 0.224 nan 8.240 nan 0.000 0.420 666 Q N 1.030 120.747 119.800 -0.138 0.000 2.373 666 Q HA 0.141 4.483 4.340 0.003 0.000 0.206 666 Q C -0.199 175.804 176.000 0.006 0.000 0.942 666 Q CA 0.014 55.767 55.803 -0.083 0.000 0.953 666 Q CB -0.450 28.289 28.738 0.002 0.000 1.022 666 Q HN 0.335 nan 8.270 nan 0.000 0.502 667 N N -0.862 117.841 118.700 0.005 0.000 2.758 667 N HA -0.182 4.560 4.740 0.003 0.000 0.248 667 N C 0.356 175.912 175.510 0.076 0.000 1.076 667 N CA 1.137 54.201 53.050 0.023 0.000 0.696 667 N CB -1.800 36.672 38.487 -0.024 0.000 0.979 667 N HN 0.465 nan 8.380 nan 0.000 0.550 668 G N -1.356 107.505 108.800 0.102 0.000 2.203 668 G HA2 -0.302 3.660 3.960 0.003 0.000 0.263 668 G HA3 -0.302 3.660 3.960 0.003 0.000 0.263 668 G C 0.072 175.057 174.900 0.141 0.000 1.012 668 G CA 0.847 46.019 45.100 0.121 0.000 0.749 668 G HN 1.068 nan 8.290 nan 0.000 0.512 669 S N -0.167 115.630 115.700 0.162 0.000 2.541 669 S HA 0.627 5.099 4.470 0.003 0.000 0.283 669 S C 1.410 176.140 174.600 0.216 0.000 1.196 669 S CA -0.312 57.996 58.200 0.180 0.000 1.062 669 S CB 0.767 64.066 63.200 0.165 0.000 1.009 669 S HN 1.071 nan 8.310 nan 0.000 0.502 670 I N 1.649 122.322 120.570 0.171 0.000 4.082 670 I HA 0.312 4.484 4.170 0.003 0.000 0.337 670 I C -0.031 176.137 176.117 0.084 0.000 1.352 670 I CA -0.234 61.134 61.300 0.114 0.000 1.097 670 I CB -0.864 37.192 38.000 0.093 0.000 1.048 670 I HN 0.475 nan 8.210 nan 0.000 0.393 671 Q N 2.342 122.216 119.800 0.124 0.000 2.432 671 Q HA 0.230 4.572 4.340 0.003 0.000 0.264 671 Q C 1.020 177.080 176.000 0.100 0.000 1.035 671 Q CA 1.025 56.889 55.803 0.103 0.000 0.908 671 Q CB 0.012 28.816 28.738 0.110 0.000 1.280 671 Q HN 0.557 nan 8.270 nan 0.000 0.455 672 G N 1.636 110.480 108.800 0.073 0.000 2.395 672 G HA2 -0.249 3.713 3.960 0.003 0.000 0.292 672 G HA3 -0.249 3.713 3.960 0.003 0.000 0.292 672 G C -0.473 174.455 174.900 0.047 0.000 0.953 672 G CA 0.424 45.568 45.100 0.072 0.000 1.207 672 G HN 0.469 nan 8.290 nan 0.000 0.503 673 L N 0.523 121.701 121.223 -0.075 0.000 2.349 673 L HA 0.436 4.778 4.340 0.003 0.000 0.278 673 L C -0.572 176.189 176.870 -0.181 0.000 0.996 673 L CA -2.394 52.257 54.840 -0.315 0.000 0.825 673 L CB 1.732 43.480 42.059 -0.519 0.000 1.243 673 L HN 0.032 nan 8.230 nan 0.000 0.412 674 P HA -0.275 nan 4.420 nan 0.000 0.221 674 P C -0.025 177.250 177.300 -0.041 0.000 1.107 674 P CA 1.513 64.578 63.100 -0.058 0.000 0.986 674 P CB 0.059 31.730 31.700 -0.047 0.000 0.774 675 N N -0.777 117.895 118.700 -0.048 0.000 2.757 675 N HA 0.263 5.005 4.740 0.003 0.000 0.296 675 N C -1.489 174.021 175.510 -0.000 0.000 1.874 675 N CA -0.042 52.999 53.050 -0.014 0.000 0.885 675 N CB 0.810 39.294 38.487 -0.004 0.000 1.242 675 N HN -0.143 nan 8.380 nan 0.000 0.488 676 V N 2.294 122.208 119.914 -0.000 0.000 2.531 676 V HA 0.443 4.565 4.120 0.003 0.000 0.301 676 V C -2.098 174.018 176.094 0.036 0.000 1.034 676 V CA -1.650 60.665 62.300 0.025 0.000 0.865 676 V CB 2.160 33.994 31.823 0.018 0.000 0.995 676 V HN 0.239 nan 8.190 nan 0.000 0.424 677 P HA 0.074 nan 4.420 nan 0.000 0.267 677 P C 0.473 177.803 177.300 0.050 0.000 1.200 677 P CA -0.055 63.073 63.100 0.046 0.000 0.772 677 P CB 0.633 32.364 31.700 0.052 0.000 0.855 678 Q N 1.683 121.507 119.800 0.039 0.000 2.234 678 Q HA -0.226 4.116 4.340 0.003 0.000 0.206 678 Q C 1.770 177.791 176.000 0.035 0.000 0.980 678 Q CA 1.594 57.419 55.803 0.036 0.000 0.869 678 Q CB -0.499 28.255 28.738 0.027 0.000 0.912 678 Q HN 0.453 nan 8.270 nan 0.000 0.436 679 E N -0.528 119.692 120.200 0.033 0.000 2.072 679 E HA -0.150 4.202 4.350 0.003 0.000 0.191 679 E C 1.685 178.299 176.600 0.023 0.000 0.985 679 E CA 0.863 57.275 56.400 0.020 0.000 0.801 679 E CB -0.013 29.700 29.700 0.021 0.000 0.750 679 E HN 0.405 nan 8.360 nan 0.000 0.452 680 L N 0.778 122.050 121.223 0.082 0.000 2.044 680 L HA -0.164 4.178 4.340 0.003 0.000 0.205 680 L C 2.561 179.540 176.870 0.181 0.000 1.075 680 L CA 1.060 56.007 54.840 0.178 0.000 0.747 680 L CB -0.752 41.458 42.059 0.251 0.000 0.903 680 L HN 0.080 nan 8.230 nan 0.000 0.435 681 K N 0.471 120.951 120.400 0.132 0.000 2.032 681 K HA -0.245 4.077 4.320 0.003 0.000 0.218 681 K C 1.613 178.262 176.600 0.082 0.000 1.054 681 K CA 1.862 58.217 56.287 0.113 0.000 0.941 681 K CB -0.817 31.728 32.500 0.077 0.000 0.720 681 K HN 0.313 nan 8.250 nan 0.000 0.449 682 D N 0.722 121.145 120.400 0.039 0.000 2.182 682 D HA -0.137 4.505 4.640 0.003 0.000 0.201 682 D C 1.914 178.195 176.300 -0.032 0.000 0.986 682 D CA 0.637 54.644 54.000 0.011 0.000 0.847 682 D CB -0.180 40.618 40.800 -0.004 0.000 0.942 682 D HN 0.028 nan 8.370 nan 0.000 0.467 683 L N -0.967 120.182 121.223 -0.124 0.000 2.131 683 L HA -0.029 4.313 4.340 0.003 0.000 0.206 683 L C 0.877 177.519 176.870 -0.380 0.000 1.087 683 L CA 1.368 55.998 54.840 -0.350 0.000 0.767 683 L CB -0.168 41.484 42.059 -0.677 0.000 0.917 683 L HN 0.044 nan 8.230 nan 0.000 0.441 684 Y N -0.650 119.712 120.300 0.102 0.000 2.720 684 Y HA 0.284 4.836 4.550 0.003 0.000 0.277 684 Y C 0.472 176.426 175.900 0.090 0.000 1.144 684 Y CA -0.819 57.344 58.100 0.106 0.000 1.221 684 Y CB -0.110 38.410 38.460 0.100 0.000 1.163 684 Y HN -0.111 nan 8.280 nan 0.000 0.537 685 K N 1.181 121.680 120.400 0.165 0.000 2.511 685 K HA 0.006 4.328 4.320 0.003 0.000 0.280 685 K C 0.584 177.238 176.600 0.090 0.000 1.008 685 K CA 0.378 56.738 56.287 0.120 0.000 1.050 685 K CB 0.373 32.923 32.500 0.083 0.000 0.889 685 K HN 0.078 nan 8.250 nan 0.000 0.484 686 T N 1.564 116.171 114.554 0.089 0.000 2.898 686 T HA -0.039 4.313 4.350 0.003 0.000 0.301 686 T C 1.429 176.066 174.700 -0.105 0.000 1.049 686 T CA -0.426 61.699 62.100 0.041 0.000 1.095 686 T CB 1.293 70.276 68.868 0.192 0.000 0.976 686 T HN 0.443 nan 8.240 nan 0.000 0.539 687 V N 2.536 122.222 119.914 -0.380 0.000 2.594 687 V HA -0.127 3.995 4.120 0.003 0.000 0.253 687 V C 1.348 177.178 176.094 -0.439 0.000 1.069 687 V CA 1.679 63.602 62.300 -0.629 0.000 1.082 687 V CB -0.580 30.511 31.823 -1.219 0.000 0.680 687 V HN 0.965 nan 8.190 nan 0.000 0.469 688 W N 0.155 121.380 121.300 -0.125 0.000 2.611 688 W HA 0.019 4.681 4.660 0.003 0.000 0.251 688 W C 2.073 178.594 176.519 0.004 0.000 1.265 688 W CA 0.707 58.045 57.345 -0.011 0.000 1.295 688 W CB -0.124 29.342 29.460 0.011 0.000 1.129 688 W HN 0.293 nan 8.180 nan 0.000 0.630 689 E N -0.347 119.947 120.200 0.156 0.000 2.538 689 E HA 0.197 4.549 4.350 0.003 0.000 0.207 689 E C 0.050 176.691 176.600 0.069 0.000 1.002 689 E CA -0.141 56.332 56.400 0.121 0.000 0.952 689 E CB 0.376 30.149 29.700 0.121 0.000 1.031 689 E HN 0.140 nan 8.360 nan 0.000 0.476 690 I N 0.841 121.428 120.570 0.027 0.000 2.377 690 I HA 0.106 4.278 4.170 0.003 0.000 0.293 690 I C 0.255 176.400 176.117 0.046 0.000 0.987 690 I CA -0.723 60.590 61.300 0.021 0.000 1.185 690 I CB 1.903 39.873 38.000 -0.050 0.000 1.341 690 I HN -0.127 nan 8.210 nan 0.000 0.455 691 S N 4.767 120.504 115.700 0.062 0.000 2.811 691 S HA -0.072 4.400 4.470 0.003 0.000 0.325 691 S C 1.266 175.914 174.600 0.079 0.000 1.224 691 S CA -0.263 57.974 58.200 0.063 0.000 1.125 691 S CB 0.188 63.422 63.200 0.056 0.000 0.867 691 S HN 0.497 nan 8.310 nan 0.000 0.512 692 Q N 3.989 123.838 119.800 0.081 0.000 2.368 692 Q HA -0.132 4.210 4.340 0.003 0.000 0.210 692 Q C 1.546 177.630 176.000 0.140 0.000 0.982 692 Q CA 1.371 57.240 55.803 0.110 0.000 0.884 692 Q CB -0.151 28.652 28.738 0.109 0.000 0.933 692 Q HN 0.650 nan 8.270 nan 0.000 0.460 693 K N -0.553 119.897 120.400 0.083 0.000 2.097 693 K HA -0.036 4.286 4.320 0.003 0.000 0.205 693 K C 2.077 178.808 176.600 0.218 0.000 1.050 693 K CA 1.457 57.796 56.287 0.087 0.000 0.938 693 K CB -0.809 31.606 32.500 -0.142 0.000 0.718 693 K HN 0.195 nan 8.250 nan 0.000 0.442 694 T N 1.536 116.188 114.554 0.163 0.000 2.812 694 T HA 0.008 4.360 4.350 0.003 0.000 0.264 694 T C 1.762 176.600 174.700 0.230 0.000 1.042 694 T CA 0.711 62.922 62.100 0.184 0.000 1.140 694 T CB -0.172 68.794 68.868 0.164 0.000 0.870 694 T HN -0.068 nan 8.240 nan 0.000 0.445 695 I N 1.591 122.298 120.570 0.228 0.000 2.118 695 I HA -0.152 4.020 4.170 0.003 0.000 0.241 695 I C 2.420 178.680 176.117 0.238 0.000 1.070 695 I CA 1.452 62.904 61.300 0.254 0.000 1.327 695 I CB -1.137 36.983 38.000 0.200 0.000 1.034 695 I HN 0.267 nan 8.210 nan 0.000 0.405 696 I N 0.617 121.331 120.570 0.241 0.000 2.315 696 I HA -0.273 3.899 4.170 0.003 0.000 0.248 696 I C 2.259 178.471 176.117 0.158 0.000 1.117 696 I CA 0.904 62.335 61.300 0.218 0.000 1.404 696 I CB -0.435 37.755 38.000 0.317 0.000 1.071 696 I HN 0.277 nan 8.210 nan 0.000 0.419 697 N N 0.846 119.669 118.700 0.206 0.000 2.069 697 N HA -0.170 4.572 4.740 0.003 0.000 0.191 697 N C 1.911 177.465 175.510 0.073 0.000 1.031 697 N CA 1.587 54.714 53.050 0.128 0.000 0.852 697 N CB -0.267 38.315 38.487 0.159 0.000 1.018 697 N HN 0.338 nan 8.380 nan 0.000 0.423 698 M N 0.463 120.131 119.600 0.112 0.000 2.132 698 M HA -0.051 4.431 4.480 0.003 0.000 0.263 698 M C 2.253 178.560 176.300 0.012 0.000 1.065 698 M CA 1.230 56.579 55.300 0.082 0.000 1.122 698 M CB -0.216 32.490 32.600 0.177 0.000 1.365 698 M HN 0.125 nan 8.290 nan 0.000 0.411 699 A N 0.537 123.395 122.820 0.064 0.000 1.883 699 A HA -0.145 4.177 4.320 0.003 0.000 0.217 699 A C 2.340 179.907 177.584 -0.028 0.000 1.186 699 A CA 2.163 54.233 52.037 0.054 0.000 0.624 699 A CB -1.004 18.057 19.000 0.101 0.000 0.822 699 A HN 0.515 nan 8.150 nan 0.000 0.444 700 A N -0.381 122.419 122.820 -0.032 0.000 1.968 700 A HA -0.103 4.219 4.320 0.003 0.000 0.217 700 A C 1.727 179.149 177.584 -0.270 0.000 1.169 700 A CA 1.673 53.651 52.037 -0.097 0.000 0.638 700 A CB -0.428 18.557 19.000 -0.026 0.000 0.812 700 A HN 0.501 nan 8.150 nan 0.000 0.446 701 D N 0.137 120.421 120.400 -0.193 0.000 2.084 701 D HA -0.171 4.471 4.640 0.003 0.000 0.196 701 D C 2.193 178.313 176.300 -0.300 0.000 0.985 701 D CA 1.750 55.623 54.000 -0.213 0.000 0.826 701 D CB -0.494 40.256 40.800 -0.084 0.000 0.978 701 D HN 0.727 nan 8.370 nan 0.000 0.456 702 R N 0.934 121.253 120.500 -0.302 0.000 2.152 702 R HA 0.026 4.368 4.340 0.003 0.000 0.232 702 R C 1.896 177.846 176.300 -0.583 0.000 1.117 702 R CA 1.232 57.077 56.100 -0.425 0.000 0.981 702 R CB -0.463 29.266 30.300 -0.952 0.000 0.870 702 R HN -0.131 nan 8.270 nan 0.000 0.451 703 S N 0.945 116.259 115.700 -0.643 0.000 2.469 703 S HA -0.075 4.397 4.470 0.003 0.000 0.238 703 S C 1.879 175.849 174.600 -1.050 0.000 0.998 703 S CA 1.177 58.975 58.200 -0.671 0.000 0.957 703 S CB 0.018 62.921 63.200 -0.495 0.000 0.764 703 S HN 0.475 nan 8.310 nan 0.000 0.514 704 V N -1.870 117.255 119.914 -1.316 0.000 3.041 704 V HA 0.077 4.199 4.120 0.003 0.000 0.260 704 V C 0.998 176.546 176.094 -0.911 0.000 1.105 704 V CA 0.926 62.370 62.300 -1.427 0.000 1.125 704 V CB -1.141 29.928 31.823 -1.256 0.000 0.730 704 V HN 0.562 nan 8.190 nan 0.000 0.479 705 Y N 0.202 120.267 120.300 -0.391 0.000 2.555 705 Y HA 0.568 5.120 4.550 0.004 0.000 0.259 705 Y C 0.767 176.276 175.900 -0.651 0.000 1.179 705 Y CA -0.506 57.369 58.100 -0.374 0.000 1.230 705 Y CB 0.272 38.780 38.460 0.079 0.000 1.146 705 Y HN 0.194 nan 8.280 nan 0.000 0.526 706 I N 0.558 120.865 120.570 -0.439 0.000 2.503 706 I HA 0.114 4.286 4.170 0.003 0.000 0.277 706 I C 0.295 176.286 176.117 -0.211 0.000 1.078 706 I CA -0.396 60.729 61.300 -0.293 0.000 1.184 706 I CB 0.848 38.696 38.000 -0.253 0.000 1.353 706 I HN 0.106 nan 8.210 nan 0.000 0.490 707 D N 3.175 123.428 120.400 -0.244 0.000 3.000 707 D HA -0.270 4.372 4.640 0.003 0.000 0.196 707 D C 1.383 177.681 176.300 -0.003 0.000 1.110 707 D CA 2.100 56.063 54.000 -0.062 0.000 0.873 707 D CB 0.299 41.111 40.800 0.020 0.000 0.948 707 D HN 0.606 nan 8.370 nan 0.000 0.496 708 Q N -0.974 118.829 119.800 0.004 0.000 3.080 708 Q HA 0.398 4.740 4.340 0.003 0.000 0.219 708 Q C 0.614 176.648 176.000 0.057 0.000 1.169 708 Q CA -0.319 55.501 55.803 0.028 0.000 0.315 708 Q CB 0.488 29.241 28.738 0.024 0.000 5.814 708 Q HN 0.089 nan 8.270 nan 0.000 0.319 709 S N -1.275 114.469 115.700 0.073 0.000 2.911 709 S HA 0.485 4.957 4.470 0.003 0.000 0.319 709 S C -1.859 172.850 174.600 0.181 0.000 1.154 709 S CA -0.637 57.637 58.200 0.123 0.000 0.857 709 S CB 1.131 64.384 63.200 0.087 0.000 1.279 709 S HN 0.650 nan 8.310 nan 0.000 0.593 710 H N -1.370 117.671 119.070 -0.047 0.000 3.046 710 H HA 0.594 5.152 4.556 0.003 0.000 0.361 710 H C -1.368 174.014 175.328 0.090 0.000 1.235 710 H CA -0.914 55.125 56.048 -0.015 0.000 1.146 710 H CB 0.921 30.549 29.762 -0.224 0.000 1.859 710 H HN 0.290 nan 8.280 nan 0.000 0.548 711 S N 2.943 118.811 115.700 0.280 0.000 2.700 711 S HA 0.067 4.538 4.470 0.003 0.000 0.321 711 S C -0.030 174.797 174.600 0.379 0.000 1.161 711 S CA -0.688 57.542 58.200 0.051 0.000 1.078 711 S CB -0.198 62.875 63.200 -0.212 0.000 1.302 711 S HN 0.465 nan 8.310 nan 0.000 0.540 712 L N 4.543 125.894 121.223 0.212 0.000 2.352 712 L HA 0.284 4.625 4.340 0.003 0.000 0.272 712 L C -0.129 176.874 176.870 0.220 0.000 1.109 712 L CA -0.140 54.841 54.840 0.236 0.000 0.952 712 L CB -0.559 41.469 42.059 -0.051 0.000 1.314 712 L HN 0.551 nan 8.230 nan 0.000 0.427 713 N N 2.928 121.766 118.700 0.230 0.000 2.454 713 N HA 0.167 4.909 4.740 0.003 0.000 0.254 713 N C -0.759 174.662 175.510 -0.148 0.000 1.228 713 N CA -0.429 52.581 53.050 -0.067 0.000 0.900 713 N CB 0.895 39.224 38.487 -0.264 0.000 1.089 713 N HN 0.287 nan 8.380 nan 0.000 0.449 714 L N 2.887 123.929 121.223 -0.301 0.000 2.329 714 L HA 0.484 4.826 4.340 0.003 0.000 0.279 714 L C -1.002 175.574 176.870 -0.491 0.000 1.014 714 L CA -0.483 54.230 54.840 -0.212 0.000 0.814 714 L CB 0.764 42.785 42.059 -0.063 0.000 1.257 714 L HN 0.458 nan 8.230 nan 0.000 0.424 715 F N 4.339 124.225 119.950 -0.106 0.000 2.434 715 F HA 0.508 5.037 4.527 0.003 0.000 0.355 715 F C -0.232 175.603 175.800 0.058 0.000 1.115 715 F CA -0.463 57.415 58.000 -0.203 0.000 1.010 715 F CB 0.941 39.513 39.000 -0.712 0.000 1.234 715 F HN 0.088 nan 8.300 nan 0.000 0.439 716 L N 4.337 125.771 121.223 0.352 0.000 2.305 716 L HA 0.502 4.844 4.340 0.003 0.000 0.284 716 L C 1.334 178.455 176.870 0.418 0.000 1.013 716 L CA -0.594 54.437 54.840 0.319 0.000 0.819 716 L CB 1.984 44.140 42.059 0.162 0.000 1.227 716 L HN 0.688 nan 8.230 nan 0.000 0.417 717 R N 3.102 123.825 120.500 0.373 0.000 2.078 717 R HA 0.072 4.414 4.340 0.003 0.000 0.224 717 R C 0.608 176.944 176.300 0.060 0.000 1.149 717 R CA 1.290 57.502 56.100 0.186 0.000 0.916 717 R CB 0.074 30.474 30.300 0.167 0.000 0.821 717 R HN 0.678 nan 8.270 nan 0.000 0.434 718 A N 3.074 125.933 122.820 0.065 0.000 2.582 718 A HA 0.377 4.699 4.320 0.003 0.000 0.336 718 A C -2.294 175.320 177.584 0.049 0.000 1.445 718 A CA -1.536 50.522 52.037 0.035 0.000 0.997 718 A CB 0.509 19.525 19.000 0.027 0.000 1.148 718 A HN 0.315 nan 8.150 nan 0.000 0.514 719 P HA 0.402 nan 4.420 nan 0.000 0.280 719 P C -0.095 177.222 177.300 0.029 0.000 1.244 719 P CA 0.191 63.317 63.100 0.044 0.000 0.784 719 P CB 1.360 33.084 31.700 0.040 0.000 0.913 720 T N -1.046 113.527 114.554 0.032 0.000 2.887 720 T HA 0.414 4.766 4.350 0.003 0.000 0.292 720 T C 1.060 175.774 174.700 0.023 0.000 1.087 720 T CA -0.791 61.327 62.100 0.029 0.000 1.009 720 T CB 0.968 69.864 68.868 0.047 0.000 1.203 720 T HN -0.006 nan 8.240 nan 0.000 0.518 721 M N 1.174 120.785 119.600 0.019 0.000 2.175 721 M HA 0.202 4.684 4.480 0.003 0.000 0.264 721 M C 2.361 178.723 176.300 0.103 0.000 1.063 721 M CA 1.968 57.273 55.300 0.008 0.000 1.119 721 M CB -1.054 31.547 32.600 0.002 0.000 1.377 721 M HN 0.940 nan 8.290 nan 0.000 0.415 722 G N -1.071 107.799 108.800 0.117 0.000 2.403 722 G HA2 -0.203 3.759 3.960 0.003 0.000 0.216 722 G HA3 -0.203 3.759 3.960 0.003 0.000 0.216 722 G C 1.693 176.673 174.900 0.133 0.000 1.154 722 G CA 0.821 46.004 45.100 0.138 0.000 0.784 722 G HN 0.281 nan 8.290 nan 0.000 0.538 723 K N 0.006 120.465 120.400 0.098 0.000 2.025 723 K HA 0.050 4.372 4.320 0.003 0.000 0.207 723 K C 2.301 178.958 176.600 0.096 0.000 1.049 723 K CA 0.654 56.992 56.287 0.085 0.000 0.933 723 K CB -0.710 31.829 32.500 0.065 0.000 0.714 723 K HN 0.226 nan 8.250 nan 0.000 0.438 724 L N 0.776 122.046 121.223 0.079 0.000 2.027 724 L HA -0.113 4.229 4.340 0.003 0.000 0.206 724 L C 1.843 178.815 176.870 0.171 0.000 1.074 724 L CA 2.060 56.922 54.840 0.037 0.000 0.745 724 L CB -1.218 40.837 42.059 -0.007 0.000 0.898 724 L HN 0.238 nan 8.230 nan 0.000 0.433 725 T N -0.802 113.956 114.554 0.341 0.000 2.685 725 T HA -0.223 4.129 4.350 0.003 0.000 0.268 725 T C 2.040 177.125 174.700 0.642 0.000 1.034 725 T CA 1.886 64.406 62.100 0.700 0.000 1.149 725 T CB -0.420 68.848 68.868 0.667 0.000 0.860 725 T HN 0.679 nan 8.240 nan 0.000 0.449 726 S N 0.624 116.547 115.700 0.371 0.000 2.436 726 S HA -0.013 4.459 4.470 0.003 0.000 0.228 726 S C 2.103 176.902 174.600 0.331 0.000 1.014 726 S CA 0.507 58.896 58.200 0.315 0.000 0.950 726 S CB -0.306 62.993 63.200 0.166 0.000 0.784 726 S HN 0.219 nan 8.310 nan 0.000 0.504 727 M N 1.501 121.245 119.600 0.241 0.000 2.156 727 M HA 0.028 4.510 4.480 0.003 0.000 0.264 727 M C 2.178 178.644 176.300 0.277 0.000 1.067 727 M CA 1.442 56.865 55.300 0.205 0.000 1.131 727 M CB -1.871 30.756 32.600 0.045 0.000 1.368 727 M HN 0.418 nan 8.290 nan 0.000 0.416 728 H N -0.595 118.704 119.070 0.381 0.000 2.319 728 H HA -0.073 4.484 4.556 0.003 0.000 0.299 728 H C 2.156 177.676 175.328 0.319 0.000 1.092 728 H CA 1.575 57.850 56.048 0.377 0.000 1.302 728 H CB -0.625 29.425 29.762 0.479 0.000 1.373 728 H HN 0.311 nan 8.280 nan 0.000 0.497 729 F N -0.510 119.729 119.950 0.482 0.000 2.293 729 F HA -0.147 4.383 4.527 0.005 0.000 0.297 729 F C 2.541 178.561 175.800 0.367 0.000 1.089 729 F CA 0.531 58.768 58.000 0.396 0.000 1.377 729 F CB -0.385 38.776 39.000 0.268 0.000 1.051 729 F HN 0.058 nan 8.300 nan 0.000 0.511 730 Y N 0.850 121.369 120.300 0.366 0.000 2.070 730 Y HA -0.161 4.391 4.550 0.003 0.000 0.280 730 Y C 2.516 178.520 175.900 0.174 0.000 1.148 730 Y CA 1.588 59.821 58.100 0.221 0.000 1.125 730 Y CB -1.057 37.509 38.460 0.176 0.000 0.975 730 Y HN 0.007 nan 8.280 nan 0.000 0.492 731 G N -1.087 107.828 108.800 0.192 0.000 2.440 731 G HA2 -0.345 3.617 3.960 0.003 0.000 0.218 731 G HA3 -0.345 3.617 3.960 0.003 0.000 0.218 731 G C 1.485 176.426 174.900 0.067 0.000 1.154 731 G CA 0.836 46.007 45.100 0.118 0.000 0.767 731 G HN 0.651 nan 8.290 nan 0.000 0.552 732 W N 1.608 122.819 121.300 -0.149 0.000 2.333 732 W HA -0.041 4.620 4.660 0.002 0.000 0.316 732 W C 2.527 178.829 176.519 -0.362 0.000 1.215 732 W CA 1.792 58.794 57.345 -0.572 0.000 1.278 732 W CB -0.155 28.815 29.460 -0.817 0.000 1.154 732 W HN 0.161 nan 8.180 nan 0.000 0.486 733 K N -0.123 120.030 120.400 -0.411 0.000 2.155 733 K HA -0.114 4.208 4.320 0.003 0.000 0.203 733 K C 1.869 178.226 176.600 -0.405 0.000 1.052 733 K CA 0.988 56.942 56.287 -0.556 0.000 0.948 733 K CB -0.267 32.061 32.500 -0.287 0.000 0.728 733 K HN -0.174 nan 8.250 nan 0.000 0.448 734 K N 0.054 120.255 120.400 -0.332 0.000 2.585 734 K HA -0.046 4.276 4.320 0.003 0.000 0.194 734 K C 0.973 177.506 176.600 -0.112 0.000 1.037 734 K CA 0.942 57.087 56.287 -0.237 0.000 0.964 734 K CB -0.120 32.212 32.500 -0.279 0.000 0.787 734 K HN 0.459 nan 8.250 nan 0.000 0.488 735 G N 1.023 109.663 108.800 -0.266 0.000 2.143 735 G HA2 -0.257 3.705 3.960 0.003 0.000 0.249 735 G HA3 -0.257 3.705 3.960 0.003 0.000 0.249 735 G C 0.152 174.914 174.900 -0.230 0.000 0.981 735 G CA 0.098 44.979 45.100 -0.365 0.000 0.665 735 G HN 0.253 nan 8.290 nan 0.000 0.528 736 L N -0.369 120.869 121.223 0.025 0.000 2.506 736 L HA 0.156 4.498 4.340 0.003 0.000 0.281 736 L C 1.909 178.909 176.870 0.217 0.000 1.228 736 L CA 0.441 55.403 54.840 0.203 0.000 0.850 736 L CB 0.290 42.483 42.059 0.222 0.000 1.110 736 L HN 0.167 nan 8.230 nan 0.000 0.496 737 K N 0.846 121.363 120.400 0.195 0.000 2.020 737 K HA 0.033 4.355 4.320 0.003 0.000 0.206 737 K C 0.464 177.145 176.600 0.135 0.000 1.038 737 K CA 0.826 57.198 56.287 0.141 0.000 0.947 737 K CB -0.005 32.559 32.500 0.107 0.000 0.744 737 K HN 0.549 nan 8.250 nan 0.000 0.442 738 T N 1.416 116.020 114.554 0.084 0.000 2.863 738 T HA 0.124 4.476 4.350 0.003 0.000 0.299 738 T C 1.020 175.759 174.700 0.065 0.000 0.973 738 T CA -0.329 61.790 62.100 0.031 0.000 0.994 738 T CB 1.097 69.946 68.868 -0.030 0.000 0.961 738 T HN 0.389 nan 8.240 nan 0.000 0.552 739 G N 3.139 111.984 108.800 0.075 0.000 2.418 739 G HA2 -0.028 3.934 3.960 0.003 0.000 0.217 739 G HA3 -0.028 3.934 3.960 0.003 0.000 0.217 739 G C 0.394 175.405 174.900 0.186 0.000 1.158 739 G CA 0.517 45.775 45.100 0.264 0.000 0.771 739 G HN 0.577 nan 8.290 nan 0.000 0.545 740 M N -1.671 118.002 119.600 0.123 0.000 2.325 740 M HA 0.418 4.900 4.480 0.003 0.000 0.285 740 M C -0.878 175.511 176.300 0.148 0.000 1.119 740 M CA -0.936 54.452 55.300 0.146 0.000 0.959 740 M CB 1.770 34.501 32.600 0.217 0.000 1.737 740 M HN 0.119 nan 8.290 nan 0.000 0.486 741 Y N 3.983 124.235 120.300 -0.081 0.000 3.255 741 Y HA 0.402 4.954 4.550 0.003 0.000 0.254 741 Y C -0.780 175.009 175.900 -0.185 0.000 0.887 741 Y CA 0.253 58.169 58.100 -0.308 0.000 1.161 741 Y CB -0.291 37.991 38.460 -0.298 0.000 1.152 741 Y HN 0.576 nan 8.280 nan 0.000 0.513 742 Y N 1.379 121.319 120.300 -0.601 0.000 2.326 742 Y HA 0.245 4.797 4.550 0.003 0.000 0.333 742 Y C 0.277 176.044 175.900 -0.222 0.000 1.240 742 Y CA -0.222 57.684 58.100 -0.322 0.000 1.365 742 Y CB 0.406 38.581 38.460 -0.474 0.000 1.289 742 Y HN 0.164 nan 8.280 nan 0.000 0.548 743 L N 5.222 126.497 121.223 0.087 0.000 2.255 743 L HA 0.398 4.740 4.340 0.003 0.000 0.289 743 L C -0.707 176.142 176.870 -0.036 0.000 1.046 743 L CA -0.305 54.526 54.840 -0.016 0.000 0.816 743 L CB 0.112 42.187 42.059 0.028 0.000 1.197 743 L HN 0.705 nan 8.230 nan 0.000 0.427 744 R N 3.166 123.556 120.500 -0.183 0.000 2.460 744 R HA 0.528 4.870 4.340 0.003 0.000 0.303 744 R C -0.600 175.831 176.300 0.218 0.000 0.968 744 R CA -0.505 55.551 56.100 -0.073 0.000 0.889 744 R CB 2.247 32.371 30.300 -0.292 0.000 1.123 744 R HN 0.534 nan 8.270 nan 0.000 0.455 745 T N 0.953 115.710 114.554 0.338 0.000 2.896 745 T HA 0.412 4.764 4.350 0.003 0.000 0.297 745 T C -1.372 173.385 174.700 0.095 0.000 1.108 745 T CA -0.487 61.792 62.100 0.298 0.000 1.004 745 T CB 2.060 71.002 68.868 0.122 0.000 1.159 745 T HN 0.455 nan 8.240 nan 0.000 0.499 746 Q N 0.000 119.735 119.800 -0.108 0.000 2.315 746 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 746 Q CA 0.000 55.648 55.803 -0.258 0.000 1.022 746 Q CB 0.000 28.384 28.738 -0.589 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481